SCHEMBL4565801

SCHEMBL4565801

NC1CCC(Nc2nc(NC3CCN(C(=O)c4ccccc4)CC3)c3ncn(-c4ccccc4)c3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.48
PDGFRA P16234 7/20 0.48
FLT3 P36888 6/20 0.48
SRC P12931 1/20 0.48
CCNE1 P24864 12/20 0.46
CCNE2 O96020 9/20 0.46
CDK1 P06493 3/20 0.46
CCNB2 O95067 2/20 0.46
CDK4 P11802 2/20 0.46
CCNB1 P14635 2/20 0.46
CCND1 P24385 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
CCNA2 P20248 7/20 0.45
CCNA1 P78396 7/20 0.45

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
SCHEMBL1590820 0.87 PDGFRA (0.58) CDK2PDGFRAFLT3SRCCCNE1
SCHEMBL12727080 0.87 PDGFRA (0.58) CDK2PDGFRAFLT3SRCCCNE1
SCHEMBL4372361 0.86 CDK2 (0.67) CDK2PDGFRAFLT3SRCCCNE1
SCHEMBL4372360 0.86 CDK2 (0.67) CDK2PDGFRAFLT3SRCCCNE1
Hydrochloric Acid SCHEMBL4370787 0.85 CDK2 (0.66) CDK2PDGFRAFLT3SRCCCNE1
Hydrochloric Acid SCHEMBL4370784 0.85 CDK2 (0.66) CDK2PDGFRAFLT3SRCCCNE1
SCHEMBL6015440 0.84 YTHDC1 (0.52)
SCHEMBL4374504 0.79 CDK2 (0.64) CDK2PDGFRAFLT3SRCCCNE1
SCHEMBL4374509 0.79 CDK2 (0.64) CDK2PDGFRAFLT3SRCCCNE1
SCHEMBL4372817 0.78 FLT3 (0.68) CDK2PDGFRAFLT3SRCCCNE1

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-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed