SCHEMBL5195166

SCHEMBL5195166

NC1CCC(Nc2nc(NCCNC(=O)c3ccc(F)cc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.74
FLT3 P36888 10/20 0.74
PDGFRA P16234 9/20 0.72
CCNE1 P24864 9/20 0.62
CDK1 P06493 8/20 0.62
CCNE2 O96020 4/20 0.62
CCNB2 O95067 3/20 0.62
CDK4 P11802 3/20 0.62
CCNB1 P14635 3/20 0.62
CCND1 P24385 3/20 0.62
CCNB3 Q8WWL7 3/20 0.62
CCNA2 P20248 1/20 0.57
CCNA1 P78396 1/20 0.57
SRC P12931 3/20 0.56

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
SCHEMBL5195168 1.00 CDK2 (0.74) CDK2FLT3PDGFRACCNE1CDK1
Hydrochloric Acid SCHEMBL5626378 0.99 CDK2 (0.73) CDK2FLT3PDGFRACCNE1CDK1
Hydrochloric Acid SCHEMBL5626380 0.99 CDK2 (0.73) CDK2FLT3PDGFRACCNE1CDK1
SCHEMBL5194044 0.92 CDK2 (0.72) CDK2FLT3PDGFRACCNE1CDK1
SCHEMBL5194040 0.92 CDK2 (0.72) CDK2FLT3PDGFRACCNE1CDK1
SCHEMBL5193994 0.92 CDK2 (0.74) CDK2FLT3PDGFRACCNE1CDK1
SCHEMBL5193991 0.92 CDK2 (0.74) CDK2FLT3PDGFRACCNE1CDK1
Hydrochloric Acid SCHEMBL5628105 0.91 CDK2 (0.71) CDK2FLT3PDGFRACCNE1CDK1
Hydrochloric Acid SCHEMBL5628107 0.91 CDK2 (0.71) CDK2FLT3PDGFRACCNE1CDK1
Hydrochloric Acid SCHEMBL5627184 0.91 CDK2 (0.73) CDK2FLT3PDGFRACCNE1CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 EP disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 WO disclosed