SCHEMBL1978999

SCHEMBL1978999

Oc1cccc2[nH]c3cnc(-c4cccnc4)cc3c12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 15/20 0.54
PIM2 Q9P1W9 4/20 0.54
PIM3 Q86V86 3/20 0.54
CLK2 P49760 5/20 0.51
CLK3 P49761 5/20 0.51
DYRK1A Q13627 5/20 0.51
WNT1 P04628 2/20 0.51
TGFBR1 P36897 2/20 0.51

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
SCHEMBL1981158 0.81 PIM1 (0.51) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1980913 0.81 PIM1 (0.54) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1983599 0.80 PIM1 (0.62) PIM1PIM2PIM3CLK2CLK3
SCHEMBL12597370 0.78 PIM1 (0.47) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1987825 0.77 PIM1 (0.53) PIM1PIM2PIM3CLK2CLK3
SCHEMBL12435346 0.75 PIM1 (0.66) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1980257 0.75 PIM1 (0.52) PIM1PIM2PIM3CLK2CLK3
SCHEMBL9427509 0.74 IMPDH2 (0.62) PIM1
SCHEMBL473761 0.74 PIM1 (0.61) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1978726 0.74 PIM1 (0.51) PIM1PIM2PIM3CLK2CLK3

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
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed