SCHEMBL5193129

SCHEMBL5193129

Nc1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3c2ncn3C2CCCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.85
PDGFRA P16234 12/20 0.85
CDK2 P24941 5/20 0.85
SRC P12931 3/20 0.85
CCNE1 P24864 2/20 0.84

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
SCHEMBL5193120 1.00 FLT3 (0.85) FLT3PDGFRACDK2SRCCCNE1
Hydrochloric Acid SCHEMBL5196265 0.99 FLT3 (0.84) FLT3PDGFRACDK2SRCCCNE1
Hydrochloric Acid SCHEMBL5196269 0.99 FLT3 (0.84) FLT3PDGFRACDK2SRCCCNE1
SCHEMBL6949670 0.92 PDGFRA (1.00) FLT3PDGFRACDK2SRCCCNE1
SCHEMBL6949667 0.92 PDGFRA (1.00) FLT3PDGFRACDK2SRCCCNE1
Hydrochloric Acid SCHEMBL6943536 0.91 PDGFRA (0.98) FLT3PDGFRACDK2SRCCCNE1
Hydrochloric Acid SCHEMBL6943531 0.91 PDGFRA (0.98) FLT3PDGFRACDK2SRCCCNE1
SCHEMBL5193351 0.90 PDGFRA (0.89) FLT3PDGFRACDK2SRCCCNE1
SCHEMBL5193358 0.90 PDGFRA (0.89) FLT3PDGFRACDK2SRCCCNE1
SCHEMBL5195681 0.89 FLT3 (0.78) FLT3PDGFRACDK2SRCCCNE1

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 10 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 claimed
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-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 EP disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO 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