SCHEMBL24569472

SCHEMBL24569472

C=C[C@@H]1CN(c2ccc3ncnc(Nc4ccc(Cc5ccn6ncnc6c5)c(C)c4)c3c2)C(=O)C1=C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.41
ERBB2 P04626 8/20 0.41
NQO2 P16083 1/20 0.41
FECH P22830 1/20 0.41
MYH14 Q7Z406 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29888002 0.91 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569727 0.91 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888005 0.91 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569815 0.91 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569812 0.85 EGFR (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569614 0.85 ERBB2 (0.59) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569623 0.85 EGFR (0.41) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569476 0.83 ERBB2 (0.44) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569473 0.83 ERBB2 (0.44) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888061 0.83 ERBB2 (0.44) EGFRERBB2NQO2FECHMYH14

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-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed