SCHEMBL24569351

SCHEMBL24569351

Cc1cc(Nc2ncnc3ccc(Cl)nc23)ccc1Oc1ccn2c(C)cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 13/20 0.45
▸ EGFR P00533 4/20 0.45
▸ NQO2 P16083 1/20 0.45
▸ FECH P22830 1/20 0.45
▸ MYH14 Q7Z406 1/20 0.45
▸ RIPK3 Q9Y572 1/20 0.45
▸ MKNK2 Q9HBH9 6/20 0.44
▸ ERBB3 P21860 2/20 0.43
▸ ERBB4 Q15303 2/20 0.43

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
SCHEMBL29887966 1.00 ERBB2 (0.45) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569736 0.86 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888070 0.86 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569439 0.85 ERBB2 (0.61) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888085 0.85 ERBB2 (0.58) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887854 0.85 ERBB2 (0.61) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888106 0.85 ERBB2 (0.61) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569501 0.85 ERBB2 (0.58) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569898 0.83 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888307 0.83 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14

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
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed
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