SCHEMBL16331723

SCHEMBL16331723

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ MTOR P42345 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ HTT P42858 2/20 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
SCHEMBL16332479 0.89 KIF11 (0.44) BRAFSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL16332551 0.89 SMN1; SMN2 (0.43) BRAFSMN1; SMN2ALDH1A1LMNACYP1A2
SCHEMBL16331960 0.89 CSF1R (0.46) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL16332134 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL16331495 0.86 CYP1A2 (0.53) SMN1; SMN2KDM4ELMNAMAPTMEN1
SCHEMBL16331531 0.85 CSF1R (0.47) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL16332121 0.85 EGFR (0.44) BRAFSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL16332223 0.84 SMN1; SMN2 (0.44) BRAFSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL16331299 0.84 RAB9A (0.47) BRAFSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL16331724 0.83 GABRG2 (0.52) BRAFSMN1; SMN2ALDH1A1KDM4ELMNA

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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