SCHEMBL21101482

SCHEMBL21101482

Nc1ccnc2ccc(Cl)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 1.00
SOS2 Q07890 1/20 0.72
NCF1 P14598 1/20 0.53
PARP1 P09874 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
OPRL1 P41146 1/20 0.43
CA9 Q16790 1/20 0.43
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
COQ8A Q8NI60 1/20 0.42
NLK Q9UBE8 1/20 0.42
CYP1A2 P05177 2/20 0.42
FERMT2 Q96AC1 1/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL596040 0.84 NR4A2 (1.00) NR4A2SOS2NCF1CYP1A2FERMT2
SCHEMBL1888577 0.79 NR4A2 (0.66) NR4A2SOS2PARP1CCNCCDK8
SCHEMBL30051309 0.79 NR4A2 (0.66) NR4A2SOS2PARP1CCNCCDK8
SCHEMBL4823097 0.79 NR4A2 (0.66) NR4A2SOS2NCF1PARP1ALDH1A1
SCHEMBL30210360 0.79 NR4A2 (0.66) NR4A2SOS2NCF1PARP1ALDH1A1
SCHEMBL28957472 0.78 NR4A2 (0.62) NR4A2SOS2NCF1CCNCCDK8
Bromide SCHEMBL5989384 0.78 NR4A2 (0.63) NR4A2SOS2NCF1PARP1ALDH1A1
SCHEMBL24150113 0.76 NR4A2 (0.61) NR4A2SOS2NCF1OPRL1ALDH1A1
SCHEMBL827782 0.76 NR4A2 (0.61) NR4A2SOS2PARP1CCNCCDK8
SCHEMBL11772187 0.76 NR4A2 (0.61) NR4A2SOS2PARP1CCNCCDK8

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-3481806-B1 4-ANILINO-QUINOLINE COMPOUNDS AS ANTI-CANCER AGENTS INST NAT SANTE RECH MED (FR) 2023-06-07 EP claimed
EP-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed