SCHEMBL7145192

SCHEMBL7145192

C=CCc1nc(SCCCCC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c(N2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.37
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 3/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LSS P48449 1/20 0.34
CHRM4 P08173 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARD Q03181 1/20 0.33
NAMPT P43490 2/20 0.33
AKT2 P31751 1/20 0.33

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
SCHEMBL7145190 0.88 FLT3 (0.37) BRAFFLT3TYRO3MERTKGAS6
SCHEMBL7089224 0.72 TP53 (0.49) BRAFFLT3TYRO3MERTKGAS6
SCHEMBL7647047 0.70 FLT3 (0.45) BRAFFLT3TYRO3MERTKGAS6
SCHEMBL7145186 0.69 FLT3 (0.43) BRAFFLT3TYRO3MERTKGAS6
SCHEMBL30794720 0.65 BRAF (0.47) BRAF
SCHEMBL2131408 0.65 BRAF (0.47) BRAF
SCHEMBL29019 0.64 CTNNB1 (0.47) BRAFTP53
SCHEMBL1721933 0.64 S1PR3 (0.39)
SCHEMBL6990055 0.63 TP53 (0.50) BRAFTP53RXFP1
SCHEMBL7602331 0.63 TP53 (0.50) BRAFTP53RXFP1AKT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361879-A1 2,4-DISUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-19 EP disclosed
WO-2002066036-A1 2,4-DISUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-29 WO disclosed