SCHEMBL1509593

SCHEMBL1509593

COc1ncccc1-c1ccc(O)c(-c2nc3c(C)cc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 2/20 0.45
▸ ABCB1 P08183 9/20 0.42
▸ ABCG2 Q9UNQ0 4/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ ABL1 P00519 2/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ERBB4 Q15303 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ EDNRA P25101 1/20 0.37
▸ AGTR1 P30556 1/20 0.37

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
SCHEMBL14090605 0.90 ABCB1 (0.43) ABCB1ABCG2DDR2ABL1ALK
SCHEMBL1509498 0.89 ABCG2 (0.48) CARM1ABCB1ABCG2DDR2
SCHEMBL14090443 0.84 ABCB1 (0.43) CARM1ABCB1ABCG2DDR2GSK3B
SCHEMBL12834002 0.83 ABCB1 (0.45) CARM1ABCB1ABCG2GSK3B
SCHEMBL12833863 0.83 ABCB1 (0.42) ABCB1ABCG2ABL1ALKGSK3B
SCHEMBL14090225 0.83 HDAC6 (0.56) CARM1DDR2ABL1ALKEGFR
SCHEMBL16462882 0.83 ABCG2 (0.51) CARM1ABCB1ABCG2DDR2
SCHEMBL1509568 0.83 ABCG2 (0.44) CARM1ABCB1ABCG2
SCHEMBL14090449 0.82 ABCG2 (0.44) CARM1ABCB1ABCG2GSK3B
SCHEMBL12833550 0.82 ABCB1 (0.44) CARM1ABCB1ABCG2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 — — WO disclosed
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