SCHEMBL19684716

SCHEMBL19684716

CN/C(=C(/C(=O)O)C(=O)Nc1cccc(C(F)(F)F)c1)c1nccn1-c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
AURKA O14965 2/20 0.43
KDM4E B2RXH2 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 3/20 0.42
IDH1 O75874 1/20 0.42
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
PTPN1 P18031 1/20 0.40
ELANE P08246 1/20 0.40
IDH2 P48735 1/20 0.39
LDHA P00338 1/20 0.39
P2RY1 P47900 1/20 0.39
AURKB Q96GD4 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL19684522 0.83 ELANE (0.48) MAPTAURKAKDM4ERXFP1ALDH1A1
SCHEMBL19639784 0.78 RXFP1 (0.48) MAPTAURKAKDM4ERXFP1ALDH1A1
SCHEMBL19639813 0.78 AURKA (0.42) MAPTAURKAKDM4ERXFP1ALDH1A1
SCHEMBL19684419 0.77 ELANE (0.48) MAPTAURKAKDM4ERXFP1IDH1
SCHEMBL19639815 0.75 RORC (0.41) MAPTAURKAKDM4ERXFP1ALDH1A1
SCHEMBL19684403 0.74 ELANE (0.47) MAPTAURKAKDM4ERXFP1ALDH1A1
SCHEMBL19639785 0.73 ELANE (0.41) MAPTAURKAKDM4ERXFP1POLB
SCHEMBL19684417 0.72 UBE2M (0.42) AURKAELANEIDH2LDHA
SCHEMBL19684414 0.71 ELANE (0.41) AURKARXFP1IDH1ELANELDHA
SCHEMBL19684412 0.68 ELANE (0.43) MAPTAURKAKDM4ERXFP1ALDH1A1

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-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed