SCHEMBL19375751

SCHEMBL19375751

CCN1CCC(C(C)n2nc(Cc3cccc4ccccc34)c3c(N)ncnc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.73
▸ ABL1 P00519 6/20 0.73
▸ HCK P08631 1/20 0.69
▸ PRKD3 O94806 3/20 0.56
▸ PRKD1 Q15139 3/20 0.56
▸ PRKD2 Q9BZL6 3/20 0.56
▸ RIPK2 O43353 2/20 0.56
▸ FYN P06241 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ CSK P41240 2/20 0.56
▸ MAPK8 P45983 2/20 0.56
▸ CAMK2A Q9UQM7 2/20 0.56
▸ PRKACA P17612 1/20 0.56
▸ CSNK1A1 P48729 1/20 0.56
▸ CSNK1E P49674 1/20 0.56
▸ MAPK14 Q16539 1/20 0.56
▸ CDK12 Q9NYV4 1/20 0.56
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39

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
SCHEMBL19376526 0.88 SRC (0.73) SRCABL1HCKPRKD3PRKD1
SCHEMBL19375771 0.88 SRC (0.65) SRCABL1HCKPRKD3PRKD1
SCHEMBL12437020 0.84 SRC (1.00) SRCABL1HCKPRKD3PRKD1
SCHEMBL29390186 0.84 SRC (1.00) SRCABL1HCKPRKD3PRKD1
SCHEMBL12435988 0.83 SRC (0.84) SRCABL1HCKPRKD3PRKD1
SCHEMBL29390032 0.83 SRC (0.84) SRCABL1HCKPRKD3PRKD1
SCHEMBL29387905 0.83 SRC (1.00) SRCABL1HCKPRKD3PRKD1
SCHEMBL12436152 0.83 SRC (1.00) SRCABL1HCKPRKD3PRKD1
SCHEMBL19803517 0.82 SRC (0.73) SRCABL1HCKPRKD3PRKD1
SCHEMBL29388020 0.81 SRC (1.00) SRCABL1HCKPRKD3PRKD1

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
US-9765037-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-19 — — US disclosed
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