SCHEMBL24174243

SCHEMBL24174243

Cc1cc(Nc2ncnc3cnc(N4CCN(C)CC4)nc23)ccc1Oc1ccn2ncnc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.55
EGFR P00533 5/20 0.55
NQO2 P16083 1/20 0.55
FECH P22830 1/20 0.55
MYH14 Q7Z406 1/20 0.55
RIPK3 Q9Y572 1/20 0.55
BRAF P15056 5/20 0.53

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
SCHEMBL24945583 0.94 ERBB2 (0.56) ERBB2EGFRNQO2FECHMYH14
SCHEMBL27197212 0.94 ERBB2 (0.56) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24173518 0.92 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL23747164 0.91 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30576158 0.91 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24173711 0.91 ERBB2 (0.56) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24943965 0.90 ERBB2 (0.54) ERBB2EGFRNQO2FECHMYH14
SCHEMBL23957506 0.90 ERBB2 (0.55) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24945130 0.89 ERBB2 (0.56) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24945224 0.89 ERBB2 (0.56) 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-2022003575-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-01-06 WO disclosed