SCHEMBL21704060

SCHEMBL21704060

C=NC(=O)c1sc2nc(C)cnc2c1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 11/20 0.44
USP25 Q9UHP3 12/20 0.43
IKBKB O14920 2/20 0.42
LIMK1 P53667 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CHUK O15111 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
BTK Q06187 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL19211014 0.82 USP28 (0.47) USP28USP25IKBKBLIMK1KDM4E
SCHEMBL20732017 0.82 KDM4E (0.60) USP28USP25IKBKBLIMK1KDM4E
SCHEMBL20731112 0.82 IKBKB (0.60) USP28IKBKBLIMK1KDM4ECHUK
SCHEMBL21457814 0.79 KDM4E (0.63) USP28KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21704266 0.76 LIMK1 (0.69) USP28USP25IKBKBLIMK1KDM4E
SCHEMBL20731139 0.72 IKBKB (0.37) USP28USP25IKBKBLIMK1KDM4E
SCHEMBL20731810 0.72 LIMK1 (0.38) USP28USP25IKBKBLIMK1KDM4E
SCHEMBL24248117 0.68 IKBKB (0.49) IKBKBLIMK1KDM4ECHUKPRKACA
SCHEMBL22645007 0.66 KDM4E (0.47) USP28USP25IKBKBLIMK1KDM4E
SCHEMBL24248139 0.66 ALDH1A1 (0.39) USP28USP25IKBKBLIMK1KDM4E

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-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed