SCHEMBL1982964

SCHEMBL1982964

COc1cccc2[nH]c3cnc(-c4cnn(C)c4)cc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.54
PIM1 P11309 10/20 0.51
PIM3 Q86V86 3/20 0.48
PIM2 Q9P1W9 3/20 0.48
MAPT P10636 2/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46

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
SCHEMBL12597376 0.84 PIM1 (0.48) MAP4K1PIM1PIM3PIM2MAPT
SCHEMBL1979339 0.84 CHUK (0.51) MAP4K1PIM1PIM3PIM2MAPT
SCHEMBL1987825 0.84 PIM1 (0.53) PIM1PIM3PIM2MAPTWNT1
SCHEMBL12597194 0.83 PIM1 (0.46) MAP4K1PIM1PIM3PIM2MAPT
SCHEMBL1980913 0.79 PIM1 (0.54) PIM1PIM3PIM2GABRPGABRD
SCHEMBL1979541 0.79 MAP4K1 (0.49) MAP4K1PIM1PIM3PIM2MAPT
SCHEMBL1978967 0.79 PIM1 (0.61) MAP4K1PIM1PIM3PIM2MAPT
SCHEMBL1982173 0.77 CHEK1 (0.45) MAP4K1PIM1PIM3PIM2MAPT
SCHEMBL1983392 0.77 PIM1 (0.45) MAP4K1PIM1PIM3PIM2MAPT
SCHEMBL1984089 0.76 PIM1 (0.44) MAP4K1PIM1PIM3PIM2MAPT

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