SCHEMBL17596381

SCHEMBL17596381

CC(C)C(C(N)=O)(c1cccnc1)c1cc2cn[nH]c2cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 4/20 0.36
FGFR1 P11362 1/20 0.35
CYP3A5 P20815 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SYK P43405 1/20 0.33
NEK2 P51955 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
BTK Q06187 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL17594159 0.85 CYP3A4 (0.42) PIM1PIM3PIM2CYP3A4FGFR1
SCHEMBL29931793 0.85 CYP3A4 (0.42) PIM1PIM3PIM2CYP3A4FGFR1
SCHEMBL17596972 0.84 PIM1 (0.49) PIM1PIM3PIM2MAPK1CYP3A4
SCHEMBL17592147 0.82 PIM1 (0.47) PIM1PIM3PIM2MAPK1CYP3A4
SCHEMBL17593558 0.81 CYP3A4 (0.38) PIM1PIM3PIM2CYP3A4FGFR1
SCHEMBL17592363 0.81 PIM1 (0.46) PIM1PIM3PIM2MAPK1CYP3A4
SCHEMBL17598043 0.81 PIM1 (0.48) PIM1PIM3PIM2MAPK1CYP3A4
SCHEMBL17596792 0.80 CYP3A4 (0.38) PIM1PIM3PIM2CYP3A4CYP3A5
SCHEMBL17592176 0.79 PIM1 (0.45) PIM1PIM3PIM2MAPK1CYP3A4
SCHEMBL17591682 0.77 CYP3A4 (0.47) CYP3A4CYP3A5LMNACYP1A2CYP11B1

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-2016040181-A1 3-(1H-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
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