SCHEMBL16331650

SCHEMBL16331650

CNc1nc2cnc(Nc3cccc(O)c3)cc2n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.44
▸ MTOR P42345 9/20 0.44
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAD52 P43351 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
SCHEMBL16331460 0.89 MAPT (0.47) PIK3CAMAPTTP53PRKDCMEN1
SCHEMBL16331626 0.86 GABRG2 (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16331800 0.84 SMN1; SMN2 (0.44) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL16331319 0.82 FYN (0.47) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL16332572 0.82 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16331495 0.82 CYP1A2 (0.53) PIK3CAMTORMAPTPRKDCMEN1
SCHEMBL16332496 0.82 GABRG2 (0.47) MAPTTP53PRKDCMEN1KMT2A
SCHEMBL16331764 0.81 PPARG (0.42) MTORMAPTTP53LMNACYP1A2
SCHEMBL16331443 0.81 RHOA (0.51) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL16332454 0.81 L3MBTL1 (0.44) MAPTTP53MEN1KMT2AALDH1A1

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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