SCHEMBL20369606

SCHEMBL20369606

Cc1sc2c(c1C)C(c1ccccc1)=NC(NC(=N)OC(=N)c1ncc(C(F)(F)F)cc1N1CCOCC1)C(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CBLB Q13191 8/20 0.35
▸ CCKAR P32238 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ RAF1 P04049 4/20 0.32
▸ BRAF P15056 4/20 0.32
▸ USP2 O75604 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL20369894 1.00 KDM4E (0.37) KDM4EHPGDALDH1A1CBLBCCKAR
SCHEMBL20369895 1.00 KDM4E (0.37) KDM4EHPGDALDH1A1CBLBCCKAR
SCHEMBL20369883 0.89 CBLB (0.38) KDM4EHPGDALDH1A1CBLBCCKAR
SCHEMBL20370071 0.89 CBLB (0.38) KDM4EHPGDALDH1A1CBLBCCKAR
SCHEMBL20867031 0.84 CCKAR (0.50) CBLBCCKARCCKBR
SCHEMBL20867088 0.84 CCKAR (0.50) CBLBCCKARCCKBR
SCHEMBL20369949 0.83 CBLB (0.42) KDM4EHPGDALDH1A1CBLBCCKAR
SCHEMBL20866783 0.82 NOTCH1 (0.42) KDM4EHPGDALDH1A1CBLBCCKAR
SCHEMBL20866782 0.82 NOTCH1 (0.42) KDM4EHPGDALDH1A1CBLBCCKAR
SCHEMBL20866784 0.82 NOTCH1 (0.42) KDM4EHPGDALDH1A1CBLBCCKAR

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-2018129287-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2018-07-12 — — WO disclosed
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