SCHEMBL27599990

SCHEMBL27599990

CC(=O)c1ccc(N)c(-c2cscn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.46
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
CREBBP Q92793 2/20 0.40
PRKCI P41743 1/20 0.40
S100A4 P26447 1/20 0.36
NTRK1 P04629 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
METAP1 P53582 1/20 0.36
PIK3CD O00329 2/20 0.35
ATR Q13535 1/20 0.35
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
METAP2 P50579 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27582676 0.82 METAP1 (0.55) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6516157 0.81 ADORA2A (0.43) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6313985 0.81 KDM4A (0.43) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6313842 0.79 SYK (0.43) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6513353 0.79 KDM4A (0.42) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6513294 0.77 ECE1 (0.45) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL27582685 0.76 METAP2 (0.47) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL27703498 0.76 METAP2 (0.49) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL6512655 0.74 CHEK2 (0.49) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL27668127 0.74 IDO1 (0.46) CHEK2KDM4AKDM4BKDM5CKDM5B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN disclosed
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 CN disclosed
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
CN-100506221-C Cancer therapeutic agent INST MED MOLECULAR DESIGN INC (JP) 2009-07-01 CN disclosed
CN-100490793-C Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2009-05-27 CN disclosed
CN-100464742-C NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2009-03-04 CN disclosed
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 CN disclosed
CN-100370975-C Inflammatory cytokine production dissociation inhibitor INST OF MEDICINE MOLECULAR DES (JP) 2008-02-27 CN disclosed
CN-101125138-A Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2008-02-20 CN disclosed
CN-101103977-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-01-16 CN disclosed
CN-1658856-A Cancer therapeutic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658857-A NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658858-A Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN disclosed