SCHEMBL20369949

SCHEMBL20369949

N=C(NC1N=C(c2ccccc2)c2sccc2NC1=O)OC(=N)c1ncc(C(F)(F)F)cc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 10/20 0.42
▸ CCKAR P32238 3/20 0.38
▸ CCKBR P32239 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 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
SCHEMBL20867088 0.89 CCKAR (0.50) CBLBCCKARCCKBR
SCHEMBL20867031 0.89 CCKAR (0.50) CBLBCCKARCCKBR
SCHEMBL20370071 0.84 CBLB (0.38) CBLBCCKARCCKBRKDM4EALDH1A1
SCHEMBL20369883 0.84 CBLB (0.38) CBLBCCKARCCKBRKDM4EALDH1A1
SCHEMBL20866782 0.84 NOTCH1 (0.42) CBLBCCKARCCKBRKDM4EALDH1A1
SCHEMBL20866783 0.84 NOTCH1 (0.42) CBLBCCKARCCKBRKDM4EALDH1A1
SCHEMBL20866784 0.84 NOTCH1 (0.42) CBLBCCKARCCKBRKDM4EALDH1A1
SCHEMBL20369895 0.83 KDM4E (0.37) CBLBCCKARCCKBRKDM4EALDH1A1
SCHEMBL20369606 0.83 KDM4E (0.37) CBLBCCKARCCKBRKDM4EALDH1A1
SCHEMBL20369894 0.83 KDM4E (0.37) CBLBCCKARCCKBRKDM4EALDH1A1

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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