SCHEMBL16332291

SCHEMBL16332291

CNc1nc2cnc(Nc3ccc(NC(C)=O)cc3)cc2n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ BRAF P15056 2/20 0.43
▸ CDK8 P49336 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ MTOR P42345 3/20 0.41
▸ PRKDC P78527 2/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ FYN P06241 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CTSC P53634 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ GABRG2 P18507 1/20 0.40

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
SCHEMBL16332768 0.89 FYN (0.43) MTORPRKDCPIK3CAFYNEGFR
SCHEMBL16331710 0.89 AURKA (0.49) FLT3POLBKDM4EALDH1A1PRKDC
SCHEMBL16331858 0.85 APP (0.44) FLT3MTORPRKDCPIK3CAFYN
SCHEMBL16332763 0.84 EGFR (0.43) POLBKDM4EALDH1A1MTORPRKDC
SCHEMBL16331876 0.82 MAPT (0.45) TDP1MTORPRKDCPIK3CAFYN
SCHEMBL16332695 0.82 MAPT (0.42) KDM4EALDH1A1PRKDCFYNEGFR
SCHEMBL16331614 0.82 GABRG2 (0.49) FLT3KDM4EALDH1A1BRAFMTOR
SCHEMBL16331440 0.82 PRKDC (0.39) BRAFPRKDCFYNEGFRCTSC
SCHEMBL16332602 0.81 GABRG2 (0.52) FLT3KDM4EALDH1A1BRAFMTOR
SCHEMBL16332157 0.81 RHOA (0.45) PRKDCFYNEGFR

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-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP claimed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 — — EP disclosed
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