SCHEMBL19905899

SCHEMBL19905899

Cc1cc2nc(-c3ccnc(-c4ccc5[nH]ncc5c4C)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.33
CDK2 P24941 10/20 0.33
CDK3 Q00526 8/20 0.33
AURKA O14965 7/20 0.33
GRK2 P25098 5/20 0.33
KDM4E B2RXH2 2/20 0.33
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP4K1 Q92918 1/20 0.31
SHMT1 P34896 1/20 0.31
AAK1 Q2M2I8 2/20 0.30
MAPK8 P45983 1/20 0.30

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
SCHEMBL19905940 0.90 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906268 0.84 EIF4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906069 0.83 EGFR (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906229 0.83 EIF4E (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906239 0.82 PTGDR2 (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906328 0.82 PTGER1 (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906288 0.82 CSF1R (0.35) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906369 0.82 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906017 0.82 KDM4E (0.32) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906211 0.82 KDM4E (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2

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-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed