SCHEMBL19906288

SCHEMBL19906288

Cc1cc2nc(-c3ccnc(-c4cnn(C)c4)c3)sc2c(-c2ccc(Cl)cc2OC(C)(C)C)c1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 7/20 0.35
PDGFRA P16234 5/20 0.35
PDGFRB P09619 4/20 0.35
CYP2C9 P11712 1/20 0.35
KDR P35968 2/20 0.35
FGFR3 P22607 1/20 0.35
EGFR P00533 6/20 0.34
MET P08581 3/20 0.34
FLT3 P36888 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL19905880 0.89 KDM4E (0.38) CSF1RMETFLT3KDM4EMEN1
SCHEMBL19906069 0.89 EGFR (0.35) EGFRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906126 0.88 KDM4E (0.33) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906320 0.88 KDM4E (0.31) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906072 0.87 KDM4E (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906287 0.87 KDR (0.37) CSF1RKDRFGFR3EGFRKDM4E
SCHEMBL19906229 0.87 EIF4E (0.36) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19905857 0.87 HRH4 (0.34) KDM4E
SCHEMBL19906122 0.87 KDM4C (0.34) KDM4EMEN1ALDH1A1KMT2APTGDR2
SCHEMBL19906017 0.87 KDM4E (0.32) 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