SCHEMBL15613551

SCHEMBL15613551

Nc1cccc(Oc2ccc(-c3n[nH]c4ncnc(N)c34)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.52
▸ KDR P35968 1/20 0.52
▸ TEK Q02763 1/20 0.52
▸ BTK Q06187 10/20 0.50
▸ PIK3CD O00329 3/20 0.50
▸ PIK3CA P42336 3/20 0.50
▸ PIK3CB P42338 3/20 0.50
▸ PIK3CG P48736 3/20 0.50
▸ PRKDC P78527 3/20 0.50
▸ NUDT14 O95848 2/20 0.50
▸ NUDT5 Q9UKK9 2/20 0.50
▸ MAOB P27338 1/20 0.44
▸ TNK2 Q07912 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ LYN P07948 1/20 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
SCHEMBL200349 0.89 NUDT14 (0.62) LCKKDRTEKBTKPIK3CD
SCHEMBL14617841 0.88 BTK (0.52) LCKKDRTEKBTKPIK3CD
Hydrochloric Acid SCHEMBL29439185 0.87 NUDT14 (0.61) LCKKDRTEKBTKPIK3CD
SCHEMBL30387716 0.85 PIK3CD (0.65) LCKKDRTEKBTKPIK3CD
SCHEMBL15613541 0.83 BTK (0.60) KDRBTKPIK3CDPIK3CAPIK3CB
SCHEMBL17626654 0.82 NUDT14 (0.48) LCKBTKPIK3CDPIK3CAPIK3CB
SCHEMBL12808147 0.82 BTK (0.50) LCKKDRTEKBTKPIK3CD
SCHEMBL18235468 0.82 KDR (0.49) LCKKDRTEKPIK3CDPIK3CA
SCHEMBL12713498 0.82 PIK3CD (0.50) LCKKDRTEKBTKPIK3CD
SCHEMBL30387156 0.82 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177668-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2013-12-05 — — WO disclosed
Send feedback