SCHEMBL26580265

SCHEMBL26580265

COc1cc(Oc2ccn3ncnc3c2)c(Cl)cc1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.42
EGFR P00533 6/20 0.40
NQO2 P16083 1/20 0.40
FECH P22830 1/20 0.40
MYH14 Q7Z406 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
PIK3CD O00329 1/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL26579583 0.90 ERBB2 (0.44) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26128354 0.87 GAA (0.47) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26128232 0.83 ERBB2 (0.41) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26131650 0.82 TDP1 (0.37) PIK3CD
SCHEMBL20172422 0.81 ERBB2 (0.40) ERBB2EGFRNQO2FECHMYH14
SCHEMBL26128971 0.78 ERBB2 (0.38) ERBB2EGFRNQO2FECHMYH14
SCHEMBL31193380 0.78 ERBB2 (0.38) ERBB2EGFRNQO2FECHMYH14
SCHEMBL13655122 0.78 ERBB2 (0.47) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29907348 0.77 ERBB2 (0.46) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24167718 0.77 MPO (0.35) ERBB2EGFRNQO2FECHMYH14

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-2023195773-A1 HETEROARYL DERIVATIVE AND USE THEREOF 보로노이 주식회사 2023-10-12 WO disclosed