SCHEMBL20530286

SCHEMBL20530286

OCc1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.43
CYP2C9 P11712 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 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
SCHEMBL20530312 0.90 MET (0.39) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL20530302 0.87 MET (0.51) METKDM4ENPC1ALDH1A1MAPT
SCHEMBL20530338 0.85 MET (0.42) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL20530354 0.85 AR (0.39) METSLC22A12KDM4EALDH1A1MAPT
SCHEMBL2572670 0.84 MET (0.56) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL1330173 0.83 MET (0.61) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL20530341 0.82 HDAC6 (0.43) METSLC22A12KDM4EALDH1A1TP53
SCHEMBL20530352 0.82 HDAC6 (0.41) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL20530289 0.81 MET (0.43) MET
SCHEMBL15284281 0.81 ALDH1A1 (0.43) METALDH1A1HPGD

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
EP-2571878-B1 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) 2018-10-17 EP claimed