SCHEMBL20530296

SCHEMBL20530296

O=C(NC1CCCCC1)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
CNR2 P34972 5/20 0.43
MET P08581 2/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 2/20 0.40
USP30 Q70CQ3 1/20 0.40
USP2 O75604 1/20 0.39
CHRM1 P11229 2/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL20530322 0.99 MET (0.43) CNR1CNR2METHPGDTSHR
SCHEMBL20530319 0.98 MET (0.43) CNR1CNR2METHPGDTSHR
SCHEMBL20530369 0.96 MET (0.44) CNR1CNR2METHPGDTP53
SCHEMBL20530348 0.88 CNR1 (0.40) CNR1CNR2METMEN1KMT2A
SCHEMBL20530349 0.87 MET (0.48) MET
SCHEMBL1328796 0.87 MET (0.53) CNR1CNR2METCHRM1
SCHEMBL20530361 0.87 MET (0.40) MET
SCHEMBL20530288 0.87 HPGD (0.46) CNR1CNR2METHPGDTSHR
SCHEMBL1329114 0.86 MET (0.54) CNR1CNR2METCHRM1
SCHEMBL20530357 0.86 MEN1 (0.42) METMEN1KMT2A

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