SCHEMBL6824344

SCHEMBL6824344

CN(c1nc(N[C@H]2CC[C@H](N)CC2)nc2c1ncn2C1CCCC1)C1CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.60
▸ CCNE1 P24864 8/20 0.60
▸ CDK1 P06493 6/20 0.60
▸ CCNE2 O96020 5/20 0.60
▸ CCNB2 O95067 4/20 0.60
▸ CDK4 P11802 4/20 0.60
▸ CCNB1 P14635 4/20 0.60
▸ CCND1 P24385 4/20 0.60
▸ CCNB3 Q8WWL7 4/20 0.60
▸ PDGFRA P16234 10/20 0.59
▸ FLT3 P36888 8/20 0.59
▸ SRC P12931 1/20 0.59
▸ CCNA2 P20248 1/20 0.53
▸ CCNA1 P78396 1/20 0.53

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
SCHEMBL6824348 1.00 CDK2 (0.60) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6824011 0.99 CDK2 (0.59) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6817837 0.99 CDK2 (0.59) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6820743 0.97 CDK2 (0.59) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6820744 0.97 CDK2 (0.59) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6818124 0.96 CDK2 (0.58) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6818121 0.96 CDK2 (0.58) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6824290 0.86 CDK2 (0.55) CDK2CCNE1CDK1CCNE2CCNB2
SCHEMBL6824293 0.86 CDK2 (0.55) CDK2CCNE1CDK1CCNE2CCNB2
Hydrochloric Acid SCHEMBL6817856 0.86 CDK2 (0.54) CDK2CCNE1CDK1CCNE2CCNB2

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-1056745-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2004-06-16 — — EP claimed
Send feedback