SCHEMBL20649223

SCHEMBL20649223

CC1=CSC(NC(=O)c2c3c(nn2CCOC2CCCCO2)-c2nc(N)ncc2CC3(C)C)N1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.31
EIF2AK3 Q9NZJ5 1/20 0.31

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
SCHEMBL21875735 0.84 MEN1 (0.36) TTKEIF2AK3
SCHEMBL30183573 0.84 MEN1 (0.36) TTKEIF2AK3
SCHEMBL20649016 0.83 SMN1; SMN2 (0.37)
SCHEMBL30183889 0.83 SMN1; SMN2 (0.37)
SCHEMBL21875741 0.83 CDK4 (0.37) TTKEIF2AK3
SCHEMBL21875639 0.75 CDK2 (0.46)
SCHEMBL21875744 0.75 CDK2 (0.38) TTKEIF2AK3
SCHEMBL20648965 0.74 CDK2 (0.38)
SCHEMBL20649155 0.74 CDK2 (0.37)
SCHEMBL20649323 0.73 CDK2 (0.37)

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-2019011715-A1 PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-01-17 WO disclosed