SCHEMBL30127072

SCHEMBL30127072

Clc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)cc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.47
ERBB2 P04626 15/20 0.46
NQO2 P16083 1/20 0.46
FECH P22830 1/20 0.46
MYH14 Q7Z406 1/20 0.46
RIPK3 Q9Y572 1/20 0.46
MKNK2 Q9HBH9 3/20 0.42

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
SCHEMBL30127392 1.00 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL29887854 0.88 ERBB2 (0.61) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888106 0.88 ERBB2 (0.61) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569439 0.88 ERBB2 (0.61) EGFRERBB2NQO2FECHMYH14
SCHEMBL29887947 0.87 ERBB2 (0.50) EGFRERBB2NQO2FECHMYH14
SCHEMBL25167869 0.85 ERBB2 (0.44) EGFRERBB2NQO2FECHMYH14
SCHEMBL30050031 0.85 ERBB2 (0.48) EGFRERBB2NQO2FECHMYH14
SCHEMBL24767919 0.82 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL30126583 0.82 ERBB2 (0.43) EGFRERBB2NQO2FECHMYH14
SCHEMBL30125702 0.82 ERBB2 (0.43) 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-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed