SCHEMBL1979603

SCHEMBL1979603

FC(F)(F)Oc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.51
PIM1 P11309 12/20 0.50
PIM2 Q9P1W9 4/20 0.48
PIM3 Q86V86 3/20 0.48
CBFB Q13951 1/20 0.46
DYRK1A Q13627 2/20 0.46
CHRM5 P08912 1/20 0.46
IDO1 P14902 1/20 0.45
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
KIF11 P52732 1/20 0.44

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
SCHEMBL1979863 0.86 PIM1 (0.50) PIM1PIM2PIM3DYRK1ACLK2
SCHEMBL1980243 0.84 CHUK (0.61) NPY5RPIM1PIM2PIM3DYRK1A
SCHEMBL1981367 0.82 PIM1 (0.64) NPY5RPIM1PIM2PIM3DYRK1A
SCHEMBL1980603 0.80 CHUK (0.58) PIM1PIM2PIM3DYRK1ACLK2
SCHEMBL1983599 0.79 PIM1 (0.62) PIM1PIM2PIM3DYRK1AIDO1
SCHEMBL1981058 0.78 CHUK (0.58) PIM1PIM2PIM3DYRK1ACLK2
SCHEMBL1560934 0.76 CHEK1 (0.52) PIM1PIM2PIM3DYRK1ACLK2
SCHEMBL12594228 0.76 CYP19A1 (0.54) PIM1PIM2PIM3DYRK1ACLK2
SCHEMBL1981774 0.75 PIM1 (0.51) PIM1PIM2PIM3DYRK1ACLK2
SCHEMBL1984452 0.75 FHIT (0.55) PIM1PIM2PIM3DYRK1ACLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO claimed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed