SCHEMBL1979614

SCHEMBL1979614

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccccc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.45
PIM1 P11309 7/20 0.43
CKS1B P61024 1/20 0.43
SKP2 Q13309 1/20 0.43
PIM2 Q9P1W9 4/20 0.41
PIM3 Q86V86 3/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
PTGS1 P23219 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
BACE1 P56817 1/20 0.39
MAPK10 P53779 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL1979797 0.86 PIM1 (0.47) PIM1PIM2PIM3BRD4BRD2
SCHEMBL1980607 0.86 IDO1 (0.47) PIM1PIM2PIM3NR3C1BRD4
SCHEMBL12597839 0.85 FYN (0.44) PIM1PIM2PIM3NR3C1BRD4
SCHEMBL12597833 0.84 PIM1 (0.45) PIM1PIM2PIM3BRD4BRD2
SCHEMBL1980257 0.83 PIM1 (0.52) PIM1PIM2PIM3BRD4BRD2
SCHEMBL1561346 0.81 PIM1 (0.50) SLC22A12PIM1CKS1BSKP2PIM2
SCHEMBL12597831 0.81 PIM1 (0.43) PIM1PIM2PIM3BRD4BRD2
SCHEMBL1982206 0.81 NEK1 (0.42) PIM1PIM2PIM3
SCHEMBL12597452 0.80 PIM1 (0.49) PIM1PIM2PIM3BRD4BRD2
SCHEMBL1979534 0.80 PIM1 (0.43) PIM1PIM2PIM3BRD4BRD2

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
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