SCHEMBL16331628

SCHEMBL16331628

Cn1c(-c2ccccc2)cc2c(Cl)nccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ CDK5R1 Q15078 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP19A1 P11511 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL31735942 0.78 KMT2A (0.51) HPGDKMT2ACCNB2CDK1CCNB1
SCHEMBL16770821 0.75 EGFR (0.52) HPGDKMT2ACCNB2CDK1CCNB1
SCHEMBL23474006 0.75 CYP3A4 (0.48) SMN1; SMN2NPC1LMNAMAPTKDM4E
SCHEMBL15519664 0.75 RXFP1 (0.36) KMT2ALMNAMAPTALDH1A1KDM4E
SCHEMBL12279026 0.74 HPGD (0.61) HPGDKMT2ACCNB2CDK1CCNB1
SCHEMBL23479477 0.74 RXFP1 (0.41) LMNAMAPTCYP1A2CYP3A4RXFP1
SCHEMBL16331769 0.74 HPGD (0.43) HPGDKMT2ACCNB2CDK1CCNB1
SCHEMBL29196668 0.73 RXFP1 (0.42) SMN1; SMN2LMNAMAPTKDM4ECYP1A2
SCHEMBL30855433 0.73 RXFP1 (0.42) SMN1; SMN2LMNAMAPTKDM4ECYP1A2
SCHEMBL16809631 0.73 RHEB (0.46) KMT2ANPC1LMNAMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014207260-A1 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 — — WO disclosed
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
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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