SCHEMBL24865335

SCHEMBL24865335

CN(C)c1ccc(Nc2cnc(N3CCC(C(F)(F)F)CC3)c(F)c2)cc1OCC=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
BCL6 P41182 1/20 0.34
PTK2 Q05397 1/20 0.34
FGFR3 P22607 3/20 0.33
KCNH2 Q12809 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
ABL1 P00519 3/20 0.31
TRPA1 O75762 1/20 0.31
EGFR P00533 1/20 0.31
OPRK1 P41145 1/20 0.31
ACACB O00763 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL24865437 0.89 BCL6 (0.38) KITKDM4EMAPTBCL6FGFR3
SCHEMBL24865645 0.80 FGFR3 (0.34) BCL6FGFR3KCNH2TRPV1
SCHEMBL24864955 0.80 KDM4E (0.36) KDM4EMAPTBCL6TRPA1EGFR
SCHEMBL24865181 0.77 KDM4E (0.35) KITKDM4EMAPTBCL6SCN10A
SCHEMBL24865215 0.75 PTK2 (0.33) KDM4EMAPTBCL6PTK2EGFR
SCHEMBL24865751 0.74 FGFR3 (0.39) KDM4EMAPTFGFR3KCNH2EGFR
SCHEMBL31123228 0.73 BCL6 (0.49) KDM4EMAPTBCL6SCN10A
SCHEMBL24865177 0.73 BCL6 (0.49) KDM4EMAPTBCL6SCN10A
SCHEMBL24865707 0.73 JAK2 (0.32) BCL6
SCHEMBL24865667 0.73 ALK (0.33) KDM4EMAPTBCL6ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed