SCHEMBL6824059

SCHEMBL6824059

CC(C)n1cnc2c(N(C)C3CC3)nc(NC3CCC(N)CC3)nc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.58
▸ CCNE1 P24864 18/20 0.55
▸ CDK2 P24941 18/20 0.55
▸ CDK1 P06493 2/20 0.55
▸ CCNB1 P14635 1/20 0.55
▸ CCNE2 O96020 16/20 0.55
▸ CCNA2 P20248 14/20 0.55
▸ CCNA1 P78396 14/20 0.55
▸ CCNT1 O60563 2/20 0.51
▸ CDK9 P50750 2/20 0.51
▸ CDK7 P50613 1/20 0.51
▸ CCNH P51946 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ CCNT2 O60583 1/20 0.51

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
SCHEMBL6824057 1.00 FLT3 (0.58) FLT3CCNE1CDK2CDK1CCNB1
Hydrochloric Acid SCHEMBL6817986 0.99 FLT3 (0.57) FLT3CCNE1CDK2CDK1CCNB1
Hydrochloric Acid SCHEMBL6817990 0.99 FLT3 (0.57) FLT3CCNE1CDK2CDK1CCNB1
SCHEMBL6824348 0.82 CDK2 (0.60) FLT3CCNE1CDK2CDK1CCNB1
SCHEMBL6824344 0.82 CDK2 (0.60) FLT3CCNE1CDK2CDK1CCNB1
Hydrochloric Acid SCHEMBL6824011 0.81 CDK2 (0.59) FLT3CCNE1CDK2CDK1CCNB1
Hydrochloric Acid SCHEMBL6817837 0.81 CDK2 (0.59) FLT3CCNE1CDK2CDK1CCNB1
SCHEMBL6824064 0.81 CCNE1 (0.55) CCNE1CDK2CDK1
Hydrochloric Acid SCHEMBL6817993 0.81 CCNE1 (0.54) CCNE1CDK2CDK1
SCHEMBL6820744 0.79 CDK2 (0.59) FLT3CCNE1CDK2CDK1CCNB1

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
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