SCHEMBL29329538

SCHEMBL29329538

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
KDR P35968 8/20 0.38
BRAF P15056 4/20 0.38
SLC22A12 Q96S37 1/20 0.35
AR P10275 1/20 0.35
MET P08581 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
PRKCQ Q04759 2/20 0.35
PLA2G7 Q13093 1/20 0.35
ESR1 P03372 1/20 0.34
CDK8 P49336 2/20 0.34
EGFR P00533 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 0.93 SYK (0.39) SYKKDRBRAFMETKCNH2
SCHEMBL29330254 0.89 SYK (0.42) SYKMETPRKCQESR1EGFR
SCHEMBL29329364 0.88 KDR (0.39) SYKKDRBRAFARPRKCQ
SCHEMBL29329532 0.87 ABL1 (0.38) SYKKDRBRAFMETPRKCQ
SCHEMBL29330164 0.87 SYK (0.40) SYKKDRBRAFSLC22A12MET
SCHEMBL29330248 0.86 ESR1 (0.46) SYKKDRBRAFKCNH2PRKCQ
SCHEMBL29330032 0.86 SYK (0.42) SYKMETPRKCQESR1EGFR
SCHEMBL29330251 0.85 SYK (0.41) SYKMETPRKCQESR1EGFR
SCHEMBL29330255 0.85 ESR1 (0.42) SYKMETKCNH2PRKCQESR1
SCHEMBL29329720 0.85 TTBK1 (0.46) KDRBRAFARPRKCQESR1

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