SCHEMBL17962923

SCHEMBL17962923

CC(C)n1nc(-c2ccc3cc(OC(c4ccccc4)C(C)(C)C)ccc3c2)c2c(N)ncnc21

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.80
▸ ABL1 P00519 13/20 0.80
▸ HCK P08631 4/20 0.72
▸ PIK3CD O00329 1/20 0.68
▸ PIK3CA P42336 1/20 0.68
▸ PIK3CB P42338 1/20 0.68
▸ PIK3CG P48736 1/20 0.68
▸ PRKDC P78527 1/20 0.68
▸ EGFR P00533 2/20 0.67
▸ LCK P06239 2/20 0.67
▸ EPHA3 P29320 2/20 0.67
▸ CSK P41240 2/20 0.67

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
SCHEMBL29387901 0.89 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL12436442 0.89 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL14574687 0.84 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL29391126 0.84 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL14574867 0.82 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL29391405 0.82 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL17963657 0.81 SRC (0.83) SRCABL1HCKEGFRLCK
SCHEMBL12436124 0.81 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL29390313 0.81 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA
SCHEMBL14574791 0.81 SRC (1.00) SRCABL1HCKPIK3CDPIK3CA

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-3250290-A1 COMPOSITIONS AND METHODS FOR TREATING TOXOPLASMOSIS, CRYPTOSPORIDIOSIS AND OTHER APICOMPLEXAN PROTOZOAN RELATED DISEASES University of Washington (US) 2017-12-06 — — EP claimed
WO-2016123152-A1 COMPOSITIONS AND METHODS FOR TREATING TOXOPLASMOSIS, CRYPTOSPORIDIOSIS AND OTHER APICOMPLEXAN PROTOZOAN RELATED DISEASES UNIVERSITY OF WASHINGTON (US) 2016-08-04 — — WO claimed
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