SCHEMBL19375771

SCHEMBL19375771

CC(=O)N1CCC(C(C)n2nc(Cc3cccc4ccccc34)c3c(N)ncnc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.65
▸ ABL1 P00519 4/20 0.65
▸ HCK P08631 1/20 0.65
▸ RIPK2 O43353 1/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ PRKACA P17612 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ CSK P41240 1/20 0.53
▸ MAPK8 P45983 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.53
▸ CSNK1E P49674 1/20 0.53
▸ PRKD1 Q15139 1/20 0.53
▸ MAPK14 Q16539 1/20 0.53
▸ PRKD2 Q9BZL6 1/20 0.53
▸ CDK12 Q9NYV4 1/20 0.53
▸ CAMK2A Q9UQM7 1/20 0.53
▸ CMA1 P23946 2/20 0.41
▸ EGFR P00533 2/20 0.38
▸ RET P07949 1/20 0.38

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
SCHEMBL19375751 0.88 SRC (0.73) SRCABL1HCKRIPK2PRKD3
SCHEMBL19376526 0.87 SRC (0.73) SRCABL1HCKRIPK2PRKD3
SCHEMBL29391118 0.84 SRC (0.76) SRCABL1HCKRIPK2PRKD3
SCHEMBL12437019 0.84 SRC (0.76) SRCABL1HCKRIPK2PRKD3
SCHEMBL12437015 0.83 SRC (0.64) SRCABL1HCKRIPK2PRKD3
SCHEMBL29390309 0.83 SRC (0.64) SRCABL1HCKRIPK2PRKD3
SCHEMBL12436004 0.82 SRC (0.77) SRCABL1HCKRIPK2PRKD3
SCHEMBL29390927 0.82 SRC (0.77) SRCABL1HCKRIPK2PRKD3
SCHEMBL22224482 0.80 SRC (0.59) SRCABL1HCKRIPK2PRKD3
SCHEMBL12436152 0.80 SRC (1.00) SRCABL1HCKRIPK2PRKD3

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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