SCHEMBL30051115

SCHEMBL30051115

Cc1cc(Nc2ncnc3ccc(OC4CCN(C(=O)OC(C)(C)C)CC4)nc23)ccc1Oc1ccn2ncnc2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.53
EGFR P00533 10/20 0.49
NQO2 P16083 1/20 0.49
FECH P22830 1/20 0.49
MYH14 Q7Z406 1/20 0.49
RIPK3 Q9Y572 1/20 0.49

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
SCHEMBL30050523 0.91 ERBB2 (0.45) ERBB2EGFR
SCHEMBL31377617 0.90 ERBB2 (0.59) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30050553 0.90 ERBB2 (0.49) ERBB2EGFR
SCHEMBL24809491 0.89 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30049640 0.89 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30050673 0.89 GPR119 (0.44) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30575985 0.88 ERBB2 (0.49) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25430677 0.88 ERBB2 (0.49) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30050692 0.87 GPR119 (0.44) ERBB2EGFRRIPK3
SCHEMBL25431525 0.86 ERBB2 (0.51) 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-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 WO disclosed