SCHEMBL29083978

SCHEMBL29083978

COc1cc(Nc2ncc(Br)c(Nc3cc(C(F)(F)F)ccc3C(C)(C)O)n2)c(C)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.52
▸ ALK Q9UM73 5/20 0.47
▸ INSR P06213 4/20 0.47
▸ IGF1R P08069 4/20 0.47
▸ PLK1 P53350 1/20 0.45

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
SCHEMBL29084034 0.93 EGFR (0.61) EGFRALKINSRIGF1R
SCHEMBL29084091 0.92 EGFR (0.53) EGFRALKINSRIGF1RPLK1
SCHEMBL29084066 0.90 EGFR (0.55) EGFRALKINSRIGF1RPLK1
SCHEMBL29084086 0.89 EGFR (0.53) EGFRALKINSRIGF1RPLK1
SCHEMBL29084051 0.88 EGFR (0.56) EGFRALKINSRIGF1RPLK1
SCHEMBL29084155 0.88 EGFR (0.56) EGFRALKINSRIGF1RPLK1
SCHEMBL29084090 0.87 EGFR (0.55) EGFRALKINSRIGF1RPLK1
SCHEMBL29084102 0.87 EGFR (0.55) EGFRALKINSRIGF1RPLK1
SCHEMBL29083962 0.87 EGFR (0.48) EGFRALKINSRIGF1RPLK1
SCHEMBL29084000 0.86 EGFR (0.56) EGFRALKINSRIGF1RPLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN 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 claimed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN disclosed
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
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