SCHEMBL2174552

SCHEMBL2174552

CC(C)(C)OC(=O)Nc1ncc(C(C)(C)N)s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CCNE2 O96020 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
LCK P06239 7/20 0.41
FFAR2 O15552 1/20 0.38
METAP1 P53582 1/20 0.38
FPR3 P25089 2/20 0.38
FPR2 P25090 2/20 0.38
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL20877512 0.89 CA1 (0.47) CA1CA2CCNE2CCNE1CDK2
SCHEMBL20064076 0.88 PSEN1 (0.47) CA1CA2CCNE2CCNE1CDK2
SCHEMBL15921777 0.83 CA1 (0.50) CA1CA2CCNE2CCNE1CDK2
SCHEMBL12241503 0.81 RAB9A (0.52) CA1CA2CCNE2CCNE1CDK2
SCHEMBL21389733 0.81 CCNE1 (0.49) CCNE2CCNE1CDK2CCNB2CDK1
SCHEMBL13039 0.80 FPR3 (0.54) CA1CA2CCNE2CCNE1CDK2
SCHEMBL27819346 0.80 CA1 (0.47) CA1CA2CCNE2CCNE1CDK2
SCHEMBL13266901 0.80 CA1 (0.47) CA1CA2CCNE2CCNE1CDK2
SCHEMBL640631 0.80 FFAR2 (0.52) CA1CA2CCNE2CCNE1CDK2
SCHEMBL29170444 0.79 CA1 (0.47) CA1CA2CCNE2CCNE1CDK2

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
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed