SCHEMBL29888276

SCHEMBL29888276

Cc1cc(Nc2ncnc3ccc(Br)cc23)ccc1Oc1ccn2ncnc2c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.73
EGFR P00533 7/20 0.73
NQO2 P16083 1/20 0.73
FECH P22830 1/20 0.73
MYH14 Q7Z406 1/20 0.73
RIPK3 Q9Y572 1/20 0.73

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
SCHEMBL24569366 1.00 ERBB2 (0.73) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888058 1.00 ERBB2 (0.73) ERBB2EGFRNQO2FECHMYH14
SCHEMBL19236057 0.92 ERBB2 (0.72) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24167354 0.91 ERBB2 (0.71) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30137776 0.91 ERBB2 (0.71) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569416 0.90 ERBB2 (0.70) ERBB2EGFRNQO2FECHMYH14
SCHEMBL25430457 0.90 ERBB2 (0.70) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887740 0.90 ERBB2 (0.70) ERBB2EGFRNQO2FECHMYH14
SCHEMBL30575959 0.90 ERBB2 (0.70) ERBB2EGFRNQO2FECHMYH14
Hydrochloric Acid SCHEMBL1192261 0.89 ERBB2 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed