SCHEMBL27711531

SCHEMBL27711531

NC(=O)c1ncccc1Oc1ccc(N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP10 Q53GL7 2/20 0.43
FEN1 P39748 2/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
GCK P35557 2/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PARP14 Q460N5 1/20 0.37
RAB9A P51151 1/20 0.36
MET P08581 2/20 0.36
GRM4 Q14833 1/20 0.36
F10 P00742 1/20 0.36
CDC7 O00311 1/20 0.35
DYRK3 O43781 1/20 0.35

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
SCHEMBL31465417 0.90 KDM4E (0.40) KMT2APARP10FEN1KDM4EMAPT
SCHEMBL30438344 0.85 GCK (0.44) SCN9AGCKCARM1PRMT6MET
SCHEMBL28026579 0.85 GCK (0.44) SCN9AGCKCARM1PRMT6MET
SCHEMBL17242135 0.79 RAB9A (0.61) KMT2AKDM4ECARM1PRMT6RAB9A
SCHEMBL726400 0.77 CTNNB1 (0.57) SMN1; SMN2USP2KMT2APARP10SCN9A
SCHEMBL20176683 0.76 RAB9A (0.43) SMN1; SMN2USP2KMT2APARP10KDM4E
SCHEMBL8441797 0.75 KMT2A (0.60) SMN1; SMN2USP2KMT2AKDM4EMAPT
SCHEMBL27648431 0.74 KDR (0.39) FEN1KDM4EGCKCARM1PRMT6
SCHEMBL1660113 0.74 MAPK14 (0.51) KMT2ARAB9AKDR
SCHEMBL3700394 0.74 KDM4E (0.54) SMN1; SMN2USP2KMT2APARP10SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128199-B Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-07-24 CN disclosed
CN-101128199-A Monocyclic heterocycles as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-02-20 CN disclosed