SCHEMBL6942316

SCHEMBL6942316

COc1cccc(OC)c1CNc1nc(N[C@H]2CC[C@H](N)CC2)nc2c1ncn2C1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.77
CDK1 P06493 17/20 0.77
CCNE1 P24864 17/20 0.77
CCNE2 O96020 4/20 0.72
CCNB2 O95067 3/20 0.72
CDK4 P11802 3/20 0.72
CCNB1 P14635 3/20 0.72
CCND1 P24385 3/20 0.72
CCNB3 Q8WWL7 3/20 0.72
FLT3 P36888 2/20 0.72
PDGFRA P16234 3/20 0.68
CCNA2 P20248 1/20 0.68
CCNA1 P78396 1/20 0.68
SRC P12931 1/20 0.62

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
SCHEMBL6942313 1.00 CDK2 (0.77) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6944631 0.99 CDK2 (0.76) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6944628 0.99 CDK2 (0.76) CDK2CDK1CCNE1CCNE2CCNB2
SCHEMBL6948010 0.91 CDK2 (0.78) CDK2CDK1CCNE1CCNE2CCNB2
SCHEMBL6948005 0.91 CDK2 (0.78) CDK2CDK1CCNE1CCNE2CCNB2
SCHEMBL6948101 0.90 CDK2 (0.73) CDK2CDK1CCNE1CCNE2CCNB2
SCHEMBL6948096 0.90 CDK2 (0.73) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6946423 0.90 CDK2 (0.77) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6946427 0.90 CDK2 (0.77) CDK2CDK1CCNE1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6947773 0.89 CDK2 (0.72) CDK2CDK1CCNE1CCNE2CCNB2

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