SCHEMBL12436432

SCHEMBL12436432

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

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.74
▸ ABL1 P00519 13/20 0.74
▸ PIK3CD O00329 4/20 0.74
▸ PIK3CA P42336 4/20 0.74
▸ PIK3CB P42338 4/20 0.74
▸ PIK3CG P48736 4/20 0.74
▸ PRKDC P78527 4/20 0.74
▸ HCK P08631 7/20 0.71
▸ EGFR P00533 5/20 0.71
▸ KDR P35968 3/20 0.71
▸ MTOR P42345 3/20 0.71
▸ EPHB4 P54760 3/20 0.71
▸ PI4KB Q9UBF8 1/20 0.71
▸ LCK P06239 2/20 0.69
▸ EPHA3 P29320 2/20 0.69
▸ CSK P41240 2/20 0.69

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 0.85 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL14574867 0.85 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL18196378 0.85 SRC (0.74) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL18196381 0.84 SRC (0.80) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12437089 0.84 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL2468132 0.83 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL18196362 0.83 SRC (0.69) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12435987 0.83 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL12436124 0.82 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB
SCHEMBL29390313 0.82 SRC (1.00) SRCABL1PIK3CDPIK3CAPIK3CB

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-2011094628-A1 COMPOSITIONS AND METHODS FOR TREATING TOXOPLASMOSIS. CRYPTOSPORIDIOSIS AND OTHER APICOMPLEXAN PROTOZOAN RELATED DISEASES UNIVERSITY OF WASHINGTON (US) 2011-08-04 — — WO disclosed
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