SCHEMBL6949667

SCHEMBL6949667

NC1CCC(Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 14/20 1.00
FLT3 P36888 9/20 1.00
CDK2 P24941 7/20 1.00
SRC P12931 1/20 1.00
CCNE1 P24864 4/20 0.80
CCNB2 O95067 2/20 0.74
CCNE2 O96020 2/20 0.74
CDK1 P06493 2/20 0.74
CDK4 P11802 2/20 0.74
CCNB1 P14635 2/20 0.74
CCND1 P24385 2/20 0.74
CCNB3 Q8WWL7 2/20 0.74

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
SCHEMBL6949670 1.00 PDGFRA (1.00) PDGFRAFLT3CDK2SRCCCNE1
Hydrochloric Acid SCHEMBL6943536 0.99 PDGFRA (0.98) PDGFRAFLT3CDK2SRCCCNE1
Hydrochloric Acid SCHEMBL6943531 0.99 PDGFRA (0.98) PDGFRAFLT3CDK2SRCCCNE1
Acetonitrile SCHEMBL5196660 0.95 PDGFRA (0.91) PDGFRAFLT3CDK2SRCCCNE1
SCHEMBL5193358 0.94 PDGFRA (0.89) PDGFRAFLT3CDK2SRCCCNE1
SCHEMBL5193351 0.94 PDGFRA (0.89) PDGFRAFLT3CDK2SRCCCNE1
Hydrochloric Acid SCHEMBL5629614 0.93 PDGFRA (0.87) PDGFRAFLT3CDK2SRCCCNE1
Hydrochloric Acid SCHEMBL5626651 0.93 PDGFRA (0.87) PDGFRAFLT3CDK2SRCCCNE1
SCHEMBL5193120 0.92 FLT3 (0.85) PDGFRAFLT3CDK2SRCCCNE1
SCHEMBL5193129 0.92 FLT3 (0.85) PDGFRAFLT3CDK2SRCCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP claimed