SCHEMBL12435998

SCHEMBL12435998

Cc1ccc(C(C)(F)F)cc1COc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.89
▸ ABL1 P00519 12/20 0.89
▸ HCK P08631 2/20 0.65
▸ EGFR P00533 1/20 0.64
▸ LCK P06239 1/20 0.64
▸ EPHA3 P29320 1/20 0.64
▸ CSK P41240 1/20 0.64

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
SCHEMBL12437090 0.94 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL29391374 0.94 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL29387857 0.88 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL14574634 0.88 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL14574642 0.85 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL29389616 0.85 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL14574643 0.83 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL29389641 0.83 SRC (1.00) SRCABL1HCKEGFRLCK
SCHEMBL17962921 0.81 SRC (0.79) SRCABL1HCKEGFRLCK
SCHEMBL12436041 0.79 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
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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