SCHEMBL23859935

SCHEMBL23859935

NNc1ccc(OCc2ccccn2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.57
EGFR P00533 13/20 0.57
ERBB3 P21860 1/20 0.57
ERBB4 Q15303 1/20 0.57
SYK P43405 1/20 0.57
AURKA O14965 1/20 0.53
RPS6KB1 P23443 1/20 0.53
LCK P06239 1/20 0.52
P2RX4 Q99571 1/20 0.48
KCNH2 Q12809 1/20 0.48
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46

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
SCHEMBL27751267 0.87 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL6979593 0.86 ERBB2 (0.59) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL6957850 0.83 ERBB2 (0.56) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL22967411 0.83 ERBB2 (0.56) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL20548962 0.82 ERBB2 (0.59) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL9719782 0.82 ERBB2 (0.53) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL29638125 0.81 SYK (0.78) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL159323 0.81 SYK (0.78) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL9719862 0.81 ERBB2 (0.74) ERBB2EGFRERBB3ERBB4SYK
SCHEMBL31084744 0.81 ERBB2 (0.74) ERBB2EGFRERBB3ERBB4SYK

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-2021195206-A1 POLYMORPHIC FORMS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed