SCHEMBL16332865

SCHEMBL16332865

Cc1cccc(CNc2nc3cnc(Nc4cccc(O)c4)cc3n2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.43
▸ MTOR P42345 4/20 0.43
▸ PRKDC P78527 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HPGD P15428 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 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
SCHEMBL16332047 0.91 PIK3CA (0.46) PIK3CAMTORPRKDCMAPK1ALOX15
SCHEMBL16332003 0.86 CYP1A2 (0.55) PIK3CAPRKDCMAPK1ALOX15MAPT
SCHEMBL16332508 0.85 ALDH1A1 (0.45) MAPK1ALOX15MAPTNPC1RAB9A
SCHEMBL16331539 0.85 PIK3CA (0.47) PIK3CAMTORPRKDCMAPK1ALOX15
SCHEMBL16332345 0.84 RAB9A (0.46) MAPK1ALOX15MAPTNPC1RAB9A
SCHEMBL16331599 0.84 PIK3CA (0.44) PIK3CAMTORPRKDCMAPK1ALOX15
SCHEMBL16332431 0.82 RHOA (0.46) MAPK1ALOX15MAPTNPC1RAB9A
SCHEMBL16333060 0.80 PIK3CA (0.50) PIK3CAMTORPRKDCMAPTGAA
SCHEMBL16332406 0.79 SMN1; SMN2 (0.54) MAPK1ALOX15MAPTNPC1RAB9A
SCHEMBL16332326 0.78 GABRG2 (0.52) PIK3CAMTORPRKDCMAPK1ALOX15

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
Send feedback