SCHEMBL5194072

SCHEMBL5194072

CCC(CC)n1cnc2c(Nc3ccc(C(=O)O)cc3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.63
CDK2 P24941 13/20 0.59
PDGFRA P16234 12/20 0.59
CDK1 P06493 2/20 0.58
CCNE1 P24864 9/20 0.56
CCNE2 O96020 1/20 0.54
CCNA2 P20248 1/20 0.54
CCNA1 P78396 1/20 0.54
SRC P12931 2/20 0.53

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
SCHEMBL5194082 1.00 FLT3 (0.63) FLT3CDK2PDGFRACDK1CCNE1
SCHEMBL5192977 0.92 FLT3 (0.64) FLT3CDK2PDGFRACDK1CCNE1
SCHEMBL7457997 0.92 FLT3 (0.64) FLT3CDK2PDGFRACDK1CCNE1
SCHEMBL5626655 0.90 FLT3 (0.59) FLT3CDK2PDGFRACDK1CCNE1
SCHEMBL5626659 0.90 FLT3 (0.59) FLT3CDK2PDGFRACDK1CCNE1
Hydrochloric Acid SCHEMBL27555064 0.89 FLT3 (0.58) FLT3CDK2PDGFRACDK1CCNE1
SCHEMBL5195802 0.89 CDK2 (0.69) FLT3CDK2PDGFRACDK1CCNE1
SCHEMBL5195796 0.89 CDK2 (0.69) FLT3CDK2PDGFRACDK1CCNE1
Hydrochloric Acid SCHEMBL5627238 0.88 CDK2 (0.68) FLT3CDK2PDGFRACDK1CCNE1
Hydrochloric Acid SCHEMBL5627242 0.88 CDK2 (0.68) FLT3CDK2PDGFRACDK1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003500407-A 2003-01-07 JP claimed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 EP claimed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 WO claimed
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