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SCHEMBL3446174

SCHEMBL3446174

CC(C)n1nnc2c(Nc3ccc(Cl)c(C(=O)O)c3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.51
▸ FLT3 P36888 3/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ PDGFRA P16234 12/20 0.46
▸ CDK2 P24941 12/20 0.46
▸ CCNE1 P24864 11/20 0.46
▸ PRKCA P17252 1/20 0.45
▸ SRC P12931 1/20 0.43

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
SCHEMBL3446681 0.93 CDK1 (0.51) CDK1FLT3CDK5CDK5R1PDGFRA
SCHEMBL3446521 0.91 FLT3 (0.48) CDK1FLT3CDK5CDK5R1PDGFRA
SCHEMBL3445373 0.89 PDGFRA (0.47) CDK1FLT3CDK5CDK5R1PDGFRA
SCHEMBL3444440 0.87 CDK1 (0.54) CDK1FLT3PDGFRACDK2CCNE1
SCHEMBL3445448 0.87 CLK1 (0.52) CDK1CDK5CDK5R1CDK2CCNE1
SCHEMBL3446833 0.87 CDK1 (0.51) CDK1FLT3CDK5CDK5R1PDGFRA
SCHEMBL3445283 0.85 CDK1 (0.54) CDK1FLT3PDGFRACDK2CCNE1
SCHEMBL3445218 0.84 CDK2 (0.62) CDK1FLT3PDGFRACDK2CCNE1
SCHEMBL3445788 0.83 CDK1 (0.72) CDK1PDGFRACDK2CCNE1PRKCA
SCHEMBL3453489 0.83 CDK1 (0.72) CDK1PDGFRACDK2CCNE1PRKCA

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-7816350-B2 Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2010-10-19 — — US claimed