SCHEMBL16331495

SCHEMBL16331495

CNc1nc2cnc(Nc3ccc(NC(C)=O)cc3)cc2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NOD1 Q9Y239 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ FLT3 P36888 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 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
SCHEMBL16331626 0.92 GABRG2 (0.52) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16331681 0.86 CYP2C19 (0.53) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16331723 0.86 BRAF (0.43) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16331635 0.86 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16332496 0.84 GABRG2 (0.47) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16332664 0.82 GABRG2 (0.55) FLT3GABRG2GABRB3GABRA5PIK3CA
SCHEMBL16331650 0.82 PIK3CA (0.44) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16332080 0.81 PIK3CA (0.46) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16331319 0.81 FYN (0.47) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL16331460 0.81 MAPT (0.47) KMT2AMEN1FYNPIK3CAPRKDC

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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