SCHEMBL26008666

SCHEMBL26008666

CCCN(c1ccc2ncnc(Nc3ccc(Cc4ccn5ncnc5c4)c(C)c3)c2c1)C(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.42
ERBB2 P04626 5/20 0.42
NQO2 P16083 1/20 0.42
FECH P22830 1/20 0.42
MYH14 Q7Z406 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL26008684 0.90 EGFR (0.44) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569870 0.83 HTT (0.55) EGFRERBB2NQO2FECHMYH14
SCHEMBL24167890 0.83 EGFR (0.48) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888850 0.83 EGFR (0.49) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569385 0.83 EGFR (0.49) EGFRERBB2NQO2FECHMYH14
SCHEMBL24569409 0.82 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL29888075 0.82 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL29887887 0.82 EGFR (0.47) EGFRERBB2NQO2FECHMYH14
SCHEMBL26004541 0.79 EGFR (0.39) EGFRERBB2NQO2FECHMYH14
SCHEMBL24167630 0.79 MAPT (0.51) 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-2023154124-A1 ACYLATED HETEROCYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed