SCHEMBL23899063

SCHEMBL23899063

N#Cc1cnc2c(Cl)cc(Br)cc2c1O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.36
▸ EGFR P00533 6/20 0.35
▸ ERBB2 P04626 3/20 0.35
▸ MAP3K8 P41279 10/20 0.35
▸ CSNK1A1 P48729 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ IKBKB O14920 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ PRKACG P22612 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ PLAU P00749 1/20 0.30

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
SCHEMBL23899093 0.84 SRC (0.37) SRCEGFRMAP3K8CSNK1A1CLK4
SCHEMBL20571102 0.78 MAP3K8 (0.34) SRCEGFRERBB2MAP3K8CSNK1A1
SCHEMBL4962416 0.76 GPR35 (0.47) MAP3K8
SCHEMBL20570729 0.74 MAP3K8 (0.32) EGFRERBB2MAP3K8CYP11B2
SCHEMBL23899035 0.72 EGFR (0.50) EGFR
SCHEMBL13976998 0.72 EGFR (0.46) SRCEGFRERBB2
SCHEMBL29775134 0.72 EGFR (0.46) SRCEGFRERBB2
SCHEMBL28685487 0.71 EGFR (0.41) SRCEGFRERBB2
SCHEMBL16858509 0.71 SLC22A12 (0.40) EGFRERBB2CYP3A4
SCHEMBL30670658 0.71 SLC22A12 (0.40) EGFRERBB2CYP3A4

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-2021202688-A1 PROCESS FOR PREPARING A COT INHIBITOR COMPOUND GILEAD SCIENCES, INC. (US) 2021-10-07 — — WO disclosed
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