SCHEMBL7460046

SCHEMBL7460046

CCC(C)n1cnc2c(Nc3ccccc3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.70
CCNE1 P24864 12/20 0.70
PDGFRA P16234 5/20 0.70
FLT3 P36888 3/20 0.68
CDK1 P06493 5/20 0.66
SRC P12931 1/20 0.65
CCNE2 O96020 8/20 0.63
CCNA2 P20248 8/20 0.63
CCNA1 P78396 8/20 0.63
PRKCA P17252 1/20 0.59

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
SCHEMBL5197008 1.00 CDK2 (0.70) CDK2CCNE1PDGFRAFLT3CDK1
Hydrochloric Acid SCHEMBL5628928 0.99 CDK2 (0.69) CDK2CCNE1PDGFRAFLT3CDK1
Hydrochloric Acid SCHEMBL27560215 0.99 CDK2 (0.69) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL5195802 0.91 CDK2 (0.69) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL5195796 0.91 CDK2 (0.69) CDK2CCNE1PDGFRAFLT3CDK1
Hydrochloric Acid SCHEMBL5627242 0.91 CDK2 (0.68) CDK2CCNE1PDGFRAFLT3CDK1
Hydrochloric Acid SCHEMBL5627238 0.91 CDK2 (0.68) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL5192977 0.89 FLT3 (0.64) CDK2CCNE1PDGFRAFLT3CDK1
SCHEMBL7457997 0.89 FLT3 (0.64) CDK2CCNE1PDGFRAFLT3CDK1
Hydrochloric Acid SCHEMBL27541607 0.89 CDK1 (0.67) CDK2CCNE1PDGFRAFLT3CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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