SCHEMBL3433015

SCHEMBL3433015

COc1cc2ncnc(Nc3cccc(S)c3)c2cc1OC1CCN(C=CC=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.62
ERBB2 P04626 9/20 0.62
EPHA2 P29317 1/20 0.53
KDR P35968 1/20 0.53
EPHB4 P54760 1/20 0.53

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
SCHEMBL3391872 0.90 EGFR (0.73) EGFRERBB2EPHA2KDREPHB4
SCHEMBL3392653 0.90 EGFR (0.73) EGFRERBB2EPHA2KDR
SCHEMBL3390805 0.89 EGFR (0.76) EGFRERBB2
SCHEMBL3389265 0.89 EGFR (0.60) EGFRERBB2
SCHEMBL3395371 0.89 EGFR (0.65) EGFRERBB2
SCHEMBL3431548 0.88 EGFR (0.66) EGFRERBB2KDREPHB4
SCHEMBL3391878 0.87 EGFR (0.63) EGFRERBB2EPHA2KDREPHB4
SCHEMBL3390863 0.85 ERBB2 (0.74) EGFRERBB2EPHA2KDREPHB4
SCHEMBL3432393 0.85 EGFR (0.66) EGFRERBB2KDR
SCHEMBL3395092 0.85 EGFR (0.74) EGFRERBB2EPHA2KDREPHB4

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
EP-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP claimed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO claimed