SCHEMBL1978726

SCHEMBL1978726

COc1c(F)ccc2[nH]c3cnc(-c4cccnc4)cc3c12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.51
PIM2 Q9P1W9 5/20 0.51
PIM3 Q86V86 4/20 0.51
CLK2 P49760 2/20 0.44
CLK3 P49761 2/20 0.44
DYRK1A Q13627 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL1561129 0.87 PIM1 (0.51) PIM1PIM2PIM3CLK2CLK3
SCHEMBL12597374 0.83 PIM1 (0.44) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1981158 0.83 PIM1 (0.51) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1980257 0.81 PIM1 (0.52) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1980913 0.81 PIM1 (0.54) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1981764 0.80 CHUK (0.61) PIM1PIM2PIM3CLK2CLK3
SCHEMBL12597452 0.78 PIM1 (0.49) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1980243 0.78 CHUK (0.61) PIM1PIM2PIM3CLK2DYRK1A
SCHEMBL1559845 0.77 GABRP (0.58) PIM1PIM2PIM3CLK2CLK3
SCHEMBL1561306 0.77 PIM1 (0.55) 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 3 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 claimed
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