SCHEMBL13638941

SCHEMBL13638941

CN1CCN(C(=O)c2ccc(NC(=O)c3csc(N4CCC(Oc5ncccn5)CC4)n3)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 6/20 0.43
SCD O00767 1/20 0.41
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP2J2 P51589 1/20 0.41
IRAK4 Q9NWZ3 6/20 0.41
TTK P33981 2/20 0.39
ABL1 P00519 1/20 0.39
KIT P10721 1/20 0.39
GPR6 P46095 1/20 0.39
FGFR1 P11362 1/20 0.38
PKLR P30613 1/20 0.37

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
SCHEMBL13634648 0.92 MAP3K7 (0.51) MAP3K7IRAK4TTKGPR6FGFR1
SCHEMBL13634620 0.90 SCD (0.46) MAP3K7SCDIRAK4ABL1KIT
SCHEMBL13638935 0.89 SCD (0.44) SCDCYP2C9EPHX2CYP2J2IRAK4
SCHEMBL2772305 0.89 SCD (0.45) SCDCYP2C9EPHX2CYP2J2GPR6
SCHEMBL13634698 0.88 MAP3K7 (0.47) MAP3K7SCDIRAK4ABL1KIT
SCHEMBL13634863 0.88 MAP3K7 (0.48) MAP3K7SCDIRAK4GPR6FGFR1
SCHEMBL13638763 0.86 SCD (0.42) SCDCYP2C9EPHX2CYP2J2GPR6
SCHEMBL13270708 0.86 SCD (0.43) SCDCYP2C9EPHX2CYP2J2GPR6
SCHEMBL13634736 0.86 MAP3K7 (0.40) MAP3K7SCDIRAK4GPR6FGFR1
SCHEMBL13638995 0.85 SCD (0.43) SCDCYP2C9EPHX2CYP2J2GPR6

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed