SCHEMBL29329364

SCHEMBL29329364

N#Cc1cc(Oc2ccc(C(F)(F)F)c(Cl)c2)cc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.39
BRAF P15056 5/20 0.38
HDAC1 Q13547 1/20 0.38
CDK8 P49336 2/20 0.36
CDK1 P06493 1/20 0.35
AR P10275 1/20 0.34
PRKCQ Q04759 2/20 0.34
RAF1 P04049 1/20 0.34
ESR1 P03372 2/20 0.34
SYK P43405 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
SCHEMBL29328660 0.90 SYK (0.39) KDRBRAFCDK1PRKCQESR1
SCHEMBL29329217 0.88 TTBK1 (0.41) PRKCQESR1SYK
SCHEMBL29329538 0.88 SYK (0.39) KDRBRAFCDK8ARPRKCQ
SCHEMBL29330164 0.88 SYK (0.40) KDRBRAFPRKCQESR1SYK
SCHEMBL24539439 0.87 GRM4 (0.37) KDRBRAFHDAC1PRKCQESR1
SCHEMBL29745742 0.87 GRM4 (0.37) KDRBRAFHDAC1PRKCQESR1
SCHEMBL29330248 0.85 ESR1 (0.46) KDRBRAFCDK8PRKCQESR1
SCHEMBL29330163 0.84 ESR1 (0.42) PRKCQESR1SYK
SCHEMBL29330029 0.84 PRKCQ (0.40) KDRCDK1ARPRKCQESR1
SCHEMBL29329720 0.84 TTBK1 (0.46) KDRBRAFCDK8ARPRKCQ

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed