SCHEMBL2668617

SCHEMBL2668617

CC1CCC(N(CCc2cccc(Cl)c2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
CCNE2 O96020 3/20 0.41
ITK Q08881 2/20 0.41
LMNA P02545 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GRM4 Q14833 3/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MBTPS1 Q14703 1/20 0.36

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
SCHEMBL1241591 1.00 CCNE1 (0.41) CCNE1CDK2CCNE2ITKLMNA
SCHEMBL2658560 0.96 ITK (0.41) CCNE1CDK2CCNE2ITKLMNA
SCHEMBL2658557 0.96 ITK (0.41) CCNE1CDK2CCNE2ITKLMNA
SCHEMBL12204050 0.92 NPC1 (0.42) CCNE1CDK2CCNE2LMNACCNB2
SCHEMBL1240727 0.91 CCNE1 (0.51) CCNE1CDK2CCNE2ITKCCNB2
SCHEMBL1240730 0.91 CCNE1 (0.51) CCNE1CDK2CCNE2ITKCCNB2
SCHEMBL1241539 0.90 CDK2 (0.41) CCNE1CDK2CCNE2ITKCCNB2
SCHEMBL1241215 0.90 CCNE1 (0.42) CCNE1CDK2CCNE2ITKCCNB2
SCHEMBL2668703 0.90 CCNE1 (0.42) CCNE1CDK2CCNE2ITKCCNB2
SCHEMBL2668609 0.89 ROCK2 (0.44) CCNE1CDK2CCNE2ITKLMNA

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
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed