SCHEMBL1983392

SCHEMBL1983392

COC(C)Oc1ccc2[nH]c3cnc(-c4cnn(C)c4)cc3c2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.45
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MAPT P10636 3/20 0.41
CHUK O15111 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
CSNK2A2 P19784 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCI P41743 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCZ Q05513 1/20 0.40
PRKCD Q05655 1/20 0.40
PRKD1 Q15139 1/20 0.40
CHEK1 O14757 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
SCHEMBL1979339 0.90 CHUK (0.51) PIM1PIM3PIM2MAPTCHUK
SCHEMBL1984089 0.85 PIM1 (0.44) PIM1PIM3PIM2MAPTCHUK
SCHEMBL1979707 0.83 PIM1 (0.44) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979521 0.81 PIM1 (0.50) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1978484 0.81 CHEK1 (0.42) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL12597376 0.79 PIM1 (0.48) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1982964 0.77 MAP4K1 (0.54) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1982365 0.77 NEK1 (0.39) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979541 0.76 MAP4K1 (0.49) PIM1PIM3PIM2MAPTMAP4K1
SCHEMBL12597612 0.75 PIM1 (0.44) PIM1PIM3PIM2MAPTCHEK1

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