SCHEMBL16332047

SCHEMBL16332047

Cn1c(NCc2ccccc2)nc2cnc(Nc3cccc(O)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.46
▸ MTOR P42345 8/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDR P35968 2/20 0.41

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
SCHEMBL16332865 0.91 PIK3CA (0.43) PIK3CAMTORPRKDCALOX15MAPK1
SCHEMBL16332406 0.88 SMN1; SMN2 (0.54) ALOX15MAPK1JAK2JAK1TYK2
SCHEMBL16333060 0.87 PIK3CA (0.50) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL16332216 0.86 PIK3CA (0.49) PIK3CAMTORPRKDCALOX15MAPK1
SCHEMBL16332326 0.86 GABRG2 (0.52) PIK3CAMTORPRKDCALOX15MAPK1
SCHEMBL16332334 0.86 KDM1A (0.43) ALOX15MAPK1JAK2JAK1TYK2
SCHEMBL16332080 0.82 PIK3CA (0.46) PIK3CAMTORPRKDCJAK2JAK1
SCHEMBL16332725 0.81 MAPT (0.54) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL16331650 0.80 PIK3CA (0.44) PIK3CAMTORPRKDCPIK3CDPIK3CB
SCHEMBL16332525 0.80 BRAF (0.47) NPC1RAB9AKMT2ASMN1; SMN2KDR

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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