SCHEMBL19367452

SCHEMBL19367452

Cc1ccc(Nc2c(C(=O)NOCC3COC(C)(C)O3)cc3ocnc3c2F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP2K1 Q02750 14/20 0.40
MAP2K2 P36507 2/20 0.39
ABCB11 O95342 1/20 0.39
NQO2 P16083 1/20 0.39
MAPK14 Q16539 5/20 0.37
RAF1 P04049 1/20 0.35
PDGFRB P09619 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
AURKC Q9UQB9 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35

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
SCHEMBL15130148 0.92 MEN1 (0.48) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL19367204 0.86 MEN1 (0.54) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL15129706 0.86 MAP2K1 (0.49) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL19367454 0.85 MEN1 (0.41) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL20034620 0.84 MEN1 (0.41) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL19366741 0.82 MAP2K1 (0.56) MAP2K1MAP2K2ABCB11NQO2CSNK2A2
SCHEMBL19367201 0.81 MAP2K1 (0.55) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL19366568 0.79 MAP2K1 (0.44) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL19366561 0.78 MAP2K1 (0.53) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL15130112 0.77 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937158-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2018-04-10 US disclosed
EP-2804855-B1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF SHANGHAI KECHOW PHARMA INC (CN) 2017-09-20 EP disclosed