SCHEMBL1979339

SCHEMBL1979339

COc1ccc2[nH]c3cnc(-c4cnn(C)c4)cc3c2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.51
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
CSNK2A2 P19784 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKD1 Q15139 1/20 0.51
PIM1 P11309 10/20 0.48
MAP4K1 Q92918 2/20 0.46
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
MAPT P10636 2/20 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
SCHEMBL1983392 0.90 PIM1 (0.45) CHUKPRKD3PRKCGPRKCBPRKCA
SCHEMBL1984089 0.89 PIM1 (0.44) CHUKPRKD3PRKCGPRKCBPRKCA
SCHEMBL12597376 0.87 PIM1 (0.48) PIM1MAP4K1PIM3PIM2MAPT
SCHEMBL1979707 0.87 PIM1 (0.44) PIM1PIM3PIM2MAPTLRRK2
SCHEMBL1982964 0.84 MAP4K1 (0.54) PIM1MAP4K1PIM3PIM2MAPT
SCHEMBL1982173 0.80 CHEK1 (0.45) PIM1MAP4K1PIM3PIM2MAPT
SCHEMBL1978967 0.79 PIM1 (0.61) CHUKPIM1MAP4K1PIM3PIM2
SCHEMBL1981764 0.79 CHUK (0.61) CHUKPRKD3PRKCGPRKCBPRKCA
SCHEMBL1979541 0.79 MAP4K1 (0.49) PIM1MAP4K1PIM3PIM2MAPT
SCHEMBL12597612 0.76 PIM1 (0.44) PIM1PIM3PIM2MAPTLRRK2

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