SCHEMBL6945583

SCHEMBL6945583

N[C@H]1CC[C@H](Nc2nc(NCCNc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.79
FLT3 P36888 7/20 0.79
PDGFRA P16234 7/20 0.79
SRC P12931 1/20 0.79
CCNE1 P24864 13/20 0.78
CDK1 P06493 11/20 0.78
CCNE2 O96020 5/20 0.78
CCNB2 O95067 4/20 0.78
CDK4 P11802 4/20 0.78
CCNB1 P14635 4/20 0.78
CCND1 P24385 4/20 0.78
CCNB3 Q8WWL7 4/20 0.78
CCNA2 P20248 1/20 0.73
CCNA1 P78396 1/20 0.73

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
Hydrochloric Acid SCHEMBL6945276 0.99 CDK2 (0.78) CDK2FLT3PDGFRASRCCCNE1
Hydrochloric Acid SCHEMBL6945271 0.99 CDK2 (0.78) CDK2FLT3PDGFRASRCCCNE1
Hydrochloric Acid SCHEMBL27479416 0.99 CDK2 (0.78) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL27538554 0.91 FLT3 (0.80) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL5194936 0.89 CDK2 (0.85) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL5195342 0.89 CDK2 (0.73) CDK2FLT3PDGFRASRCCCNE1
SCHEMBL5195307 0.89 CDK2 (0.85) CDK2FLT3PDGFRASRCCCNE1
Hydrochloric Acid SCHEMBL6821007 0.89 CDK2 (0.81) CDK2FLT3PDGFRASRCCCNE1
Hydrochloric Acid SCHEMBL6821008 0.89 CDK2 (0.81) CDK2FLT3PDGFRASRCCCNE1
Hydrochloric Acid SCHEMBL5195826 0.88 CDK2 (0.83) CDK2FLT3PDGFRASRCCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 CN claimed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP claimed
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN claimed