SCHEMBL24569294

SCHEMBL24569294

C=C1CCN(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.63
EGFR P00533 9/20 0.63
NQO2 P16083 1/20 0.63
FECH P22830 1/20 0.63
MYH14 Q7Z406 1/20 0.63
RIPK3 Q9Y572 1/20 0.63

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
SCHEMBL24569314 0.91 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569839 0.91 ERBB2 (0.52) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888127 0.89 ERBB2 (0.58) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887838 0.89 ERBB2 (0.58) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569297 0.89 ERBB2 (0.58) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29887981 0.88 ERBB2 (0.53) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569293 0.88 ERBB2 (0.53) ERBB2EGFRNQO2FECHMYH14
SCHEMBL12872858 0.88 ERBB2 (0.62) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29888264 0.88 ERBB2 (0.47) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24569299 0.88 ERBB2 (0.47) 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 3 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
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed