SCHEMBL2303486

SCHEMBL2303486

Cc1nc(NC2=COCO2)c(N)c(-c2ccc(C(F)(F)F)cc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.37
CRHR1 P34998 1/20 0.36
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
PDE2A O00408 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SYK P43405 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
KRAS P01116 1/20 0.30
SOS1 Q07889 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL1891742 0.72 MAP2K4 (0.48) MPLALOX5APFEN1POLB
SCHEMBL1891905 0.72 HSD11B1 (0.50) MPLPDE2AHSD11B1CYP11B1CYP11B2
SCHEMBL2390447 0.69 ALDH1A1 (0.39) MPLHSD11B1ALOX5AP
SCHEMBL1893971 0.69 FEN1 (0.44) MPLHSD11B1ALOX5APFEN1
SCHEMBL1885446 0.67 MEN1 (0.47) MPLCRHR1ALOX5APFEN1
SCHEMBL2386650 0.67 MPL (0.41) MPLPDE2AHSD11B1ALOX5APFEN1
SCHEMBL2386527 0.67 ADORA2A (0.43) MPLHSD11B1ALOX5APFEN1MAPT
SCHEMBL2307176 0.66 MPL (0.41) MPLHSD11B1ALOX5APFEN1POLB
SCHEMBL2388021 0.65 MPL (0.40) MPLHSD11B1ALOX5APFEN1POLB
SCHEMBL2390925 0.65 HSD11B1 (0.43) MPLHSD11B1ALOX5APFEN1MAPT

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-2350023-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch A/S (DK) 2011-08-03 EP disclosed
WO-2010040826-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-04-15 WO disclosed