SCHEMBL4565750

SCHEMBL4565750

CN(C)CCNC(=O)c1ccc(CNc2nc(NC3CCC4(CC3)OCCO4)nc3c2ncn3-c2cccc(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.47
CSNK1E P49674 7/20 0.47
CDK2 P24941 10/20 0.44
CCNE1 P24864 8/20 0.44
CCNE2 O96020 7/20 0.44
CCNA2 P20248 7/20 0.44
CCNA1 P78396 7/20 0.44
FLT3 P36888 2/20 0.44
PDGFRA P16234 1/20 0.43
CDK1 P06493 1/20 0.42

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
SCHEMBL3580494 0.81 CDK1 (0.43) CSNK1DCSNK1ECDK2CCNE1FLT3
SCHEMBL3585124 0.64 CDK1 (0.48) CSNK1DCSNK1ECDK2CCNE1PDGFRA
SCHEMBL3592810 0.63 CDK1 (0.44) CSNK1DCSNK1EFLT3PDGFRACDK1
SCHEMBL3585775 0.63 CDK1 (0.54) CSNK1DCSNK1ECDK2CCNE1FLT3
SCHEMBL3589570 0.62 CSNK1D (0.41) CSNK1DCSNK1ECDK2CCNE1CDK1
SCHEMBL27148924 0.61 CYP2D6 (0.56) CSNK1DCSNK1ECDK2CCNE1CCNE2
SCHEMBL17352531 0.61 CCNE1 (0.85) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL3595696 0.61 CDK1 (0.59) CDK2CCNE1FLT3PDGFRACDK1
SCHEMBL5195166 0.60 CDK2 (0.74) CDK2CCNE1CCNE2CCNA2CCNA1
SCHEMBL5195168 0.60 CDK2 (0.74) CDK2CCNE1CCNE2CCNA2CCNA1

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 claimed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO claimed