SCHEMBL29888016

SCHEMBL29888016

Cc1cc(Nc2ncnc3ccc(N4CC/C(=C\CN(C)C)C4=O)cc23)ccc1Oc1ccc2c(c1)ncn2C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.47
EGFR P00533 8/20 0.47
FECH P22830 2/20 0.38
CDK8 P49336 1/20 0.38
MAP2K5 Q13163 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NQO2 P16083 1/20 0.38
MYH14 Q7Z406 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37

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
SCHEMBL24569646 1.00 ERBB2 (0.47) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL24569329 0.94 ERBB2 (0.46) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL29887800 0.94 ERBB2 (0.46) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL29887979 0.91 ERBB2 (0.49) ERBB2EGFR
SCHEMBL24569863 0.91 ERBB2 (0.49) ERBB2EGFR
SCHEMBL24569620 0.88 ERBB2 (0.52) ERBB2EGFR
SCHEMBL29887989 0.88 ERBB2 (0.52) ERBB2EGFR
SCHEMBL24569813 0.88 ERBB2 (0.52) ERBB2EGFR
SCHEMBL29887758 0.88 ERBB2 (0.52) ERBB2EGFR
SCHEMBL24569302 0.87 ERBB2 (0.50) ERBB2EGFRFECHCDK8MAP2K5

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