SCHEMBL1980671

SCHEMBL1980671

Cn1cc(-c2cc3c(cn2)[nH]c2ccc(OC(F)F)cc23)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 10/20 0.50
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
MAPT P10636 3/20 0.46
CHEK1 O14757 1/20 0.45
ACHE P22303 1/20 0.45
KIT P10721 1/20 0.43
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
KDR P35968 1/20 0.41
MAP4K1 Q92918 1/20 0.40
MET P08581 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
WNT1 P04628 1/20 0.40

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
SCHEMBL1979521 0.89 PIM1 (0.50) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1978967 0.86 PIM1 (0.61) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1980500 0.81 PIM1 (0.49) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1981543 0.81 PIM1 (0.49) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979823 0.80 PIM1 (0.48) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979380 0.79 PIM1 (0.58) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979863 0.78 PIM1 (0.50) PIM1PIM3PIM2CLK2CLK3
SCHEMBL1561286 0.74 CHEK1 (0.56) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1983392 0.72 PIM1 (0.45) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979641 0.72 CHEK1 (0.63) CHEK1ACHE

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-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO claimed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed