SCHEMBL1980501

SCHEMBL1980501

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.45
PIM2 Q9P1W9 4/20 0.45
PIM3 Q86V86 3/20 0.45
PDPK1 O15530 1/20 0.42
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
NPY5R Q15761 1/20 0.41
DYRK1A Q13627 3/20 0.40
CLK2 P49760 2/20 0.40
CLK3 P49761 2/20 0.40
NPC1 O15118 2/20 0.39
DYRK1B Q9Y463 1/20 0.39
KIT P10721 1/20 0.39
RAB9A P51151 1/20 0.39
CHUK O15111 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39

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
SCHEMBL1980257 0.92 PIM1 (0.52) PIM1PIM2PIM3TLR8TLR7
SCHEMBL12597448 0.89 PIM1 (0.46) PIM1PIM2PIM3TLR8TLR7
SCHEMBL1981919 0.87 PIM1 (0.47) PIM1PIM2PIM3TLR8TLR7
SCHEMBL12597452 0.87 PIM1 (0.49) PIM1PIM2PIM3TLR8TLR7
SCHEMBL1981037 0.85 PIM1 (0.57) PIM1PIM2PIM3TLR8TLR7
SCHEMBL12597833 0.85 PIM1 (0.45) PIM1PIM2PIM3PDPK1TLR8
SCHEMBL1980514 0.84 PIM1 (0.44) PIM1PIM2PIM3TLR8TLR7
SCHEMBL1979797 0.83 PIM1 (0.47) PIM1PIM2PIM3TLR8TLR7
SCHEMBL12597359 0.83 SLC2A1 (0.45) PIM1PIM2PIM3TLR8TLR7
SCHEMBL1978448 0.83 PIM1 (0.45) PIM1PIM2PIM3TLR8TLR7

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