SCHEMBL30820508

SCHEMBL30820508

COc1ccc(Br)cc1Nc1ncnc2cc(OC)c(OC3CCN(C(=O)OC(C)(C)C)CC3)cc12

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.62
▸ ERBB2 P04626 8/20 0.58
▸ EPHA2 P29317 2/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ RET P07949 1/20 0.56
▸ MET P08581 1/20 0.56
▸ EPHB2 P29323 1/20 0.56
▸ TEC P42680 1/20 0.56
▸ EPHB4 P54760 1/20 0.56
▸ EPHA4 P54764 1/20 0.56
▸ BTK Q06187 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ TNK1 Q13470 1/20 0.56
▸ RIPK3 Q9Y572 1/20 0.56

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
SCHEMBL27152211 1.00 EGFR (0.62) EGFRERBB2EPHA2RIPK2RET
SCHEMBL30822092 0.95 EGFR (0.56) EGFRERBB2EPHA2RIPK2RET
SCHEMBL27136650 0.95 EGFR (0.56) EGFRERBB2EPHA2RIPK2RET
SCHEMBL27148662 0.92 EPHA2 (0.57) EGFRERBB2EPHA2
SCHEMBL30032119 0.92 EPHA2 (0.57) EGFRERBB2EPHA2
SCHEMBL30820474 0.92 EPHA2 (0.57) EGFRERBB2EPHA2
SCHEMBL24714566 0.88 EPHA2 (0.52) EGFRERBB2EPHA2EPHB4
SCHEMBL16075714 0.87 EGFR (0.76) EGFRERBB2RET
SCHEMBL30820403 0.87 EGFR (0.81) EGFRERBB2RIPK2RETMET
SCHEMBL27136364 0.87 EGFR (0.81) EGFRERBB2RIPK2RETMET

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
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 — — CN disclosed
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