SCHEMBL20157340

SCHEMBL20157340

C[C@@H](CNc1nccc2cc[nH]c12)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.42
CCNA2 P20248 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
PCSK9 Q8NBP7 1/20 0.35
BRAF P15056 5/20 0.35
SYK P43405 2/20 0.35
GRM5 P41594 2/20 0.34
TRPA1 O75762 1/20 0.34
AAK1 Q2M2I8 5/20 0.34
ATM Q13315 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL644819 0.75 CCNE2 (0.44) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL20157339 0.70 CCNE2 (0.40) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL16585438 0.69 AAK1 (0.48) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL13257955 0.68 ATM (0.50) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL13258281 0.68 ATM (0.50) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL13257888 0.68 ATM (0.50) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL31398893 0.68 TRPA1 (0.38) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL12810190 0.67 AAK1 (0.45) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL14000712 0.67 ALDH1A1 (0.42) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL24668629 0.67 HTT (0.44) CCNE2CCNA2CCNE1CDK2CCNA1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed