SCHEMBL12808147

SCHEMBL12808147

Nc1ncnc2[nH]nc(-c3ccc(Oc4ccc(O)cc4)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.50
LCK P06239 3/20 0.48
KDR P35968 2/20 0.48
TEK Q02763 2/20 0.48
PIK3CG P48736 5/20 0.48
PIK3CD O00329 4/20 0.48
PIK3CA P42336 4/20 0.48
PIK3CB P42338 4/20 0.48
PRKDC P78527 4/20 0.48
NUDT14 O95848 2/20 0.48
NUDT5 Q9UKK9 2/20 0.48
TNK2 Q07912 2/20 0.43
SRC P12931 3/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
HCK P08631 1/20 0.42
MTOR P42345 1/20 0.42
EPHB4 P54760 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
RET P07949 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
SCHEMBL11325 0.92 PIK3CG (0.49) BTKKDRPIK3CGPIK3CDPIK3CA
SCHEMBL200349 0.88 NUDT14 (0.62) BTKLCKKDRTEKPIK3CG
Hydrochloric Acid SCHEMBL29439185 0.86 NUDT14 (0.61) BTKLCKKDRTEKPIK3CG
SCHEMBL12713498 0.86 PIK3CD (0.50) BTKLCKKDRTEKPIK3CG
SCHEMBL18235468 0.86 KDR (0.49) LCKKDRTEKPIK3CGPIK3CD
SCHEMBL17626654 0.86 NUDT14 (0.48) BTKLCKPIK3CGPIK3CDPIK3CA
SCHEMBL30416234 0.83 PIK3CA (0.45) BTKLCKKDRTEKPIK3CG
SCHEMBL15613551 0.82 LCK (0.52) BTKLCKKDRTEKPIK3CG
SCHEMBL149528 0.82 KDR (0.52) LCKKDRTEKPIK3CGPIK3CD
SCHEMBL20748491 0.81 PIK3CG (0.54) KDRPIK3CGPIK3CDPIK3CAPIK3CB

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-2011046964-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-21 WO disclosed