SCHEMBL1982251

SCHEMBL1982251

CCNCCCOc1ccc(-c2cccc3[nH]c4cnc(-c5cnn(C)c5)cc4c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.42
WNT1 P04628 1/20 0.41
MAPT P10636 1/20 0.40
CHEK1 O14757 1/20 0.40
ACHE P22303 1/20 0.40
CREBBP Q92793 1/20 0.40
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CSF1R P07333 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT3 P36888 1/20 0.38
CLK2 P49760 2/20 0.37
CLK3 P49761 2/20 0.37
DYRK1A Q13627 2/20 0.37
PRMT5 O14744 2/20 0.36
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL1979682 0.84 CYP3A4 (0.43) PIM1WNT1CHEK1ACHEPIM3
SCHEMBL1981524 0.84 NEK1 (0.45) PIM1MAPTCHEK1ACHEPIM3
SCHEMBL1981113 0.83 ABL1 (0.41) PIM1WNT1MAPTCHEK1ACHE
SCHEMBL2216343 0.82 PIM1 (0.45) PIM1WNT1MAPTCHEK1ACHE
SCHEMBL1981079 0.82 NEK1 (0.37) PIM1MAPTCHEK1ACHEPIM3
SCHEMBL12598096 0.82 NEK1 (0.39) PIM1MAPTCHEK1ACHEPIM3
SCHEMBL1982365 0.82 NEK1 (0.39) PIM1MAPTCHEK1ACHEPIM3
SCHEMBL2215178 0.80 CHEK1 (0.41) PIM1MAPTCHEK1ACHEPIM3
SCHEMBL1984109 0.77 CHEK1 (0.48) PIM1WNT1MAPTCHEK1ACHE
SCHEMBL1982964 0.73 MAP4K1 (0.54) PIM1WNT1MAPTCHEK1ACHE

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