SCHEMBL18196381

SCHEMBL18196381

Cc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.80
ABL1 P00519 16/20 0.80
PIK3CD O00329 7/20 0.80
PIK3CA P42336 7/20 0.80
PIK3CB P42338 7/20 0.80
PIK3CG P48736 7/20 0.80
PRKDC P78527 7/20 0.80
HCK P08631 10/20 0.77
EGFR P00533 8/20 0.77
KDR P35968 6/20 0.77
MTOR P42345 6/20 0.77
EPHB4 P54760 6/20 0.77
PI4KB Q9UBF8 1/20 0.77
LCK P06239 2/20 0.74
EPHA3 P29320 2/20 0.74
CSK P41240 2/20 0.74

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
SCHEMBL29391405 0.89 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574867 0.89 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29391411 0.87 SRC (0.78) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12437093 0.87 SRC (0.78) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL2468132 0.87 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12436124 0.86 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29390313 0.86 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574629 0.85 SRC (0.98) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29390907 0.85 SRC (0.98) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29387857 0.85 SRC (1.00) SRCABL1HCKEGFRLCK

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
EP-2528919-B1 COMPOSITIONS AND METHODS FOR TREATING TOXOPLASMOSIS. CRYPTOSPORIDIOSIS AND OTHER APICOMPLEXAN PROTOZOAN RELATED DISEASES UNIV WASHINGTON (US) 2016-11-02 EP disclosed