SCHEMBL27846751

SCHEMBL27846751

NC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.49
FGFR1 P11362 2/20 0.47
FGFR3 P22607 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
CHEK2 O96017 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT1 P31749 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL28796506 0.85 DAPK3 (0.51) FGFR1FGFR3PLK4CHEK1AURKA
SCHEMBL12496411 0.83 MAPK14 (0.60) MEN1MAPTKMT2ATDP1MAPK14
SCHEMBL2847216 0.82 IKBKB (0.49) IKBKBFGFR1FGFR3CDK2CSNK1D
SCHEMBL12496517 0.78 MAPK14 (0.61) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL1825175 0.77 MAPK14 (0.60) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL11521978 0.74 HSD17B1 (0.58) MEN1MAPTKMT2ATDP1CYP1A2
SCHEMBL11525349 0.74 HSD17B1 (0.58) MEN1MAPTKMT2ATDP1CYP1A2
SCHEMBL119652 0.74 HSD17B1 (0.58) MEN1MAPTKMT2ATDP1CYP1A2
SCHEMBL2841884 0.74 CSNK1A1 (0.46) IKBKBDAPK3PIM1PRKACAFLT1
SCHEMBL6692978 0.74 MAPT (0.51) AKT1PLK1MEN1MAPTKMT2A

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
CN-102256969-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2011-11-23 CN disclosed