SCHEMBL2598835

SCHEMBL2598835

CCc1cc2ccccc2nc1-c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.51
PDK1 Q15118 1/20 0.51
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 3/20 0.47
RAD51 Q06609 1/20 0.46
LCK P06239 1/20 0.45
MAPT P10636 3/20 0.44
CYP19A1 P11511 2/20 0.44
CYP17A1 P05093 1/20 0.44
PDE10A Q9Y233 1/20 0.44
MYC P01106 1/20 0.43
TBXAS1 P24557 1/20 0.43
PIK3CG P48736 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42

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
SCHEMBL20081370 0.84 PDE10A (0.61) PDK1MAPTPDE10AMYCALDH1A1
SCHEMBL14047567 0.83 CYP11B2 (0.48) CYP2A6PDK1CYP11B1CYP11B2MAPT
SCHEMBL3722967 0.80 PDE10A (0.70) CYP2A6PDK1CYP11B1CYP11B2RAD51
SCHEMBL29796545 0.77 CYP2A6 (0.55) CYP2A6CYP11B1CYP11B2RAD51LCK
SCHEMBL17942777 0.77 CYP2A6 (0.55) CYP2A6CYP11B1CYP11B2RAD51LCK
SCHEMBL2598827 0.77 CYP2A6 (0.51) CYP2A6CYP11B1CYP11B2RAD51LCK
SCHEMBL456449 0.77 CYP2A6 (0.51) CYP2A6CYP11B1CYP11B2RAD51LCK
SCHEMBL4260071 0.77 PDGFRB (0.55) CYP2A6CYP11B1CYP11B2RAD51MAPT
SCHEMBL2598836 0.77 CYP11B1 (0.53) CYP2A6CYP11B1CYP11B2MAPTCYP19A1
SCHEMBL27324638 0.76 KDM4E (0.53) PDK1MAPTPDE10AMYCALDH1A1

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
EP-2571878-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES Incozen Therapeutics Pvt. Ltd. (IN) 2013-03-27 EP disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO disclosed