SCHEMBL16332496

SCHEMBL16332496

CNc1nc2cnc(Nc3ccc(OC)cc3)cc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ LMNA P02545 4/20 0.46
▸ USP2 O75604 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ BRCA1 P38398 1/20 0.46

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
SCHEMBL16332292 0.86 BRAF (0.47) MEN1KMT2ACYP3A4CYP2C9CYP1A2
SCHEMBL16331800 0.85 SMN1; SMN2 (0.44) MEN1KMT2ALMNAUSP2CYP3A4
SCHEMBL16332134 0.85 SMN1; SMN2 (0.52) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL16331731 0.84 TRPC5 (0.47) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL16331495 0.84 CYP1A2 (0.53) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL16331515 0.83 GABRG2 (0.48) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL16331319 0.82 FYN (0.47) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL16331460 0.82 MAPT (0.47) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL16331787 0.82 MAPK9 (0.51) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL16331635 0.82 CYP1A2 (0.45) MEN1KMT2ALMNAUSP2CYP3A4

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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