SCHEMBL17598043

SCHEMBL17598043

NC(=O)C(c1ccccc1)(c1cccnc1)c1cc2cn[nH]c2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.48
PIM2 Q9P1W9 3/20 0.48
PIM3 Q86V86 2/20 0.48
MAPK1 P28482 3/20 0.38
FGFR1 P11362 2/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
JAK2 O60674 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNN4 O15554 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
MCL1 Q07820 1/20 0.35
DYRK3 O43781 2/20 0.34
CLK2 P49760 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34

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
SCHEMBL17592815 0.92 PIM1 (0.45) PIM1PIM2PIM3CTNNB1WNT3A
SCHEMBL17593554 0.84 NPC1 (0.44) PIM1PIM2PIM3FGFR1CTNNB1
SCHEMBL17596972 0.83 PIM1 (0.49) PIM1PIM2PIM3MAPK1FGFR1
SCHEMBL17592147 0.81 PIM1 (0.47) PIM1PIM2PIM3MAPK1FGFR1
SCHEMBL18454467 0.81 NAMPT (0.39) PIM1PIM2PIM3FGFR1CTNNB1
SCHEMBL17596381 0.81 PIM1 (0.46) PIM1PIM2PIM3MAPK1FGFR1
SCHEMBL17592363 0.81 PIM1 (0.46) PIM1PIM2PIM3MAPK1FGFR1
SCHEMBL17591695 0.80 KCNN4 (0.39) PIM1PIM2PIM3KCNN4CYP3A4
SCHEMBL17598040 0.79 KCNN4 (0.35) KCNN4CYP3A4CYP3A5KCNA5
SCHEMBL17592176 0.79 PIM1 (0.45) PIM1PIM2PIM3MAPK1FGFR1

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-2016040188-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 WO claimed