SCHEMBL7457997

SCHEMBL7457997

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.64
CDK2 P24941 15/20 0.58
PDGFRA P16234 11/20 0.58
CCNE1 P24864 12/20 0.57
CCNE2 O96020 4/20 0.57
CCNA2 P20248 3/20 0.57
CCNA1 P78396 3/20 0.57
CDK1 P06493 2/20 0.57
CCNT1 O60563 1/20 0.53
CCNT2 O60583 1/20 0.53
CDK9 P50750 1/20 0.53
SRC P12931 1/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52

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
SCHEMBL5192977 1.00 FLT3 (0.64) FLT3CDK2PDGFRACCNE1CCNE2
SCHEMBL5194072 0.92 FLT3 (0.63) FLT3CDK2PDGFRACCNE1CCNE2
SCHEMBL5194082 0.92 FLT3 (0.63) FLT3CDK2PDGFRACCNE1CCNE2
SCHEMBL5627025 0.90 FLT3 (0.61) FLT3CDK2PDGFRACCNE1CCNE2
SCHEMBL7460046 0.89 CDK2 (0.70) FLT3CDK2PDGFRACCNE1CCNE2
SCHEMBL5197008 0.89 CDK2 (0.70) FLT3CDK2PDGFRACCNE1CCNE2
Hydrochloric Acid SCHEMBL5628928 0.89 CDK2 (0.69) FLT3CDK2PDGFRACCNE1CCNE2
Hydrochloric Acid SCHEMBL27560215 0.89 CDK2 (0.69) FLT3CDK2PDGFRACCNE1CCNE2
SCHEMBL7458142 0.83 FLT3 (0.62) FLT3CDK2PDGFRACCNE1CCNE2
SCHEMBL5195263 0.83 FLT3 (0.62) FLT3CDK2PDGFRACCNE1CCNE2

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