SCHEMBL21184407

SCHEMBL21184407

FSn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.34
▸ PTGES O14684 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ JUN P05412 2/20 0.32
▸ NFKB1 P19838 2/20 0.32
▸ NFKB2 Q00653 2/20 0.32
▸ RELA Q04206 2/20 0.32
▸ NT5E P21589 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL21184588 0.80 CCNK (0.46) —
SCHEMBL21178276 0.77 HTR6 (0.40) RORCEGFR
SCHEMBL30260778 0.77 HTR6 (0.40) RORCEGFR
SCHEMBL21178225 0.76 DGAT1 (0.43) RORCEGFR
SCHEMBL29509186 0.76 DGAT1 (0.43) RORCEGFR
SCHEMBL21178668 0.73 CLK1 (0.50) PTGES
SCHEMBL30260854 0.73 CLK1 (0.50) PTGES
SCHEMBL24900711 0.72 EGFR (0.42) EGFRJUNNFKB1NFKB2RELA
SCHEMBL30957515 0.72 EGFR (0.42) EGFRJUNNFKB1NFKB2RELA
SCHEMBL24900406 0.70 EGFR (0.51) EGFR

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-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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