SCHEMBL19210893

SCHEMBL19210893

CC(C#N)c1ccc(N2CC3CCC(C2)N3C(=O)O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 8/20 0.41
CTSK P43235 5/20 0.41
CHRM2 P08172 1/20 0.35
RORC P51449 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
USP30 Q70CQ3 2/20 0.33
USP28 Q96RU2 2/20 0.33
USP25 Q9UHP3 2/20 0.33
ACACB O00763 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL21457800 0.85 NR1H2 (0.41) CTSCCTSKCHRM2
SCHEMBL29577316 0.85 NR1H2 (0.41) CTSCCTSKCHRM2
SCHEMBL19212302 0.83 USP28 (0.39) CTSCCTSKRORCPTGS1PTGS2
SCHEMBL19210936 0.82 USP30 (0.33) USP30USP28USP25ACACB
SCHEMBL19212163 0.82 CTSC (0.37) CTSCCTSKUSP30ACACB
SCHEMBL19212252 0.78 USP28 (0.42) CTSCCTSKUSP28USP25
SCHEMBL19210981 0.77 PRKDC (0.37) CTSCCTSKRORCUSP30ACACB
SCHEMBL19210895 0.76 CTSC (0.42) CTSCCTSKRORC
SCHEMBL19210897 0.72 FFAR4 (0.41) CTSCCTSKRORCUSP28USP25
SCHEMBL19211023 0.71 ACACB (0.33) PTGS1ACACBDPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414251-B1 THIENOPYRAZINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS INC (US) 2019-10-16 EP disclosed
EP-3414251-A1 THIENOPYRAZINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2018-12-19 EP disclosed
WO-2017139779-A1 THIENOPYRAZINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-08-17 WO disclosed