SCHEMBL16332479

SCHEMBL16332479

CNc1nc2cnc(Nc3ccc(C(N)=O)cc3)cc2n1Cc1ccc(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.44
▸ EGFR P00533 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL16331723 0.89 BRAF (0.43) EGFRKDRSMN1; SMN2CYP2C9CYP1A2
SCHEMBL16332551 0.89 SMN1; SMN2 (0.43) EGFRKDRSMN1; SMN2CYP2C9CYP1A2
SCHEMBL16331960 0.89 CSF1R (0.46) SMN1; SMN2CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL16332134 0.87 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL16331531 0.85 CSF1R (0.47) KIF11SMN1; SMN2CYP2C9CYP1A2CYP3A4
SCHEMBL16332121 0.85 EGFR (0.44) EGFRKDRSMN1; SMN2CYP2C9CYP1A2
SCHEMBL16332223 0.84 SMN1; SMN2 (0.44) EGFRSMN1; SMN2CYP2C9CYP1A2CYP3A4
SCHEMBL16331697 0.84 RAB9A (0.47) EGFRKDRSMN1; SMN2CYP2C9CYP1A2
SCHEMBL16332395 0.82 LMNA (0.47) EGFRSMN1; SMN2CYP2C9CYP1A2CYP3A4
SCHEMBL16332494 0.82 LMNA (0.47) EGFRSMN1; SMN2CYP2C9CYP1A2CYP3A4

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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