SCHEMBL29974686

SCHEMBL29974686

COc1cc(Nc2ncc(Br)c(Nc3cccc(C(C)(C)O)c3)n2)c(C)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.52
▸ FGFR3 P22607 6/20 0.52
▸ INSR P06213 4/20 0.51
▸ IGF1R P08069 4/20 0.51
▸ ALK Q9UM73 4/20 0.51
▸ PDGFRB P09619 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ KDR P35968 2/20 0.46

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
SCHEMBL29084024 1.00 EGFR (0.52) EGFRFGFR3INSRIGF1RALK
SCHEMBL29084066 0.87 EGFR (0.55) EGFRFGFR3INSRIGF1RALK
SCHEMBL29084003 0.86 EGFR (0.54) EGFRFGFR3INSRIGF1RALK
SCHEMBL29083964 0.86 EGFR (0.53) EGFRINSRIGF1RALK
SCHEMBL29083960 0.86 EGFR (0.55) EGFRINSRIGF1RALK
SCHEMBL29083954 0.86 EGFR (0.51) EGFRINSRIGF1RALK
SCHEMBL29084155 0.85 EGFR (0.56) EGFRINSRIGF1RALK
SCHEMBL29084090 0.85 EGFR (0.55) EGFRFGFR3INSRIGF1RALK
SCHEMBL29084000 0.84 EGFR (0.56) EGFRFGFR3INSRIGF1RALK
SCHEMBL29084086 0.84 EGFR (0.53) EGFRINSRIGF1RALK

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
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO claimed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO disclosed
Send feedback