SCHEMBL3446336

SCHEMBL3446336

CCn1nnc2c(Nc3ccc(Br)cc3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.62
CDK1 P06493 6/20 0.57
PDGFRA P16234 8/20 0.51
CCNE1 P24864 7/20 0.51
CDK2 P24941 7/20 0.51
PRKCA P17252 1/20 0.49

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
SCHEMBL3445305 0.90 PDGFRA (0.63) FLT3CDK1PDGFRACCNE1CDK2
SCHEMBL3445623 0.90 PDGFRA (0.62) FLT3CDK1PDGFRACCNE1CDK2
SCHEMBL3445431 0.87 FLT3 (0.65) FLT3CDK1PDGFRACCNE1CDK2
SCHEMBL3445011 0.85 CDK1 (0.58) FLT3CDK1CCNE1CDK2PRKCA
SCHEMBL3444543 0.84 FLT3 (0.70) FLT3CDK1PDGFRACCNE1CDK2
SCHEMBL3445758 0.84 CDK1 (0.54) FLT3CDK1PDGFRACCNE1CDK2
SCHEMBL3445839 0.84 CDK1 (0.54) FLT3CDK1PDGFRACCNE1CDK2
SCHEMBL3445975 0.83 CDK1 (0.72) CDK1PDGFRACCNE1CDK2PRKCA
SCHEMBL3445258 0.83 CDK1 (0.56) FLT3CDK1PDGFRACCNE1CDK2
SCHEMBL3445687 0.81 CDK1 (0.48) FLT3CDK1PDGFRACCNE1CDK2

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