SCHEMBL20732017

SCHEMBL20732017

CC(=O)c1sc2nc(C)cnc2c1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
USP28 Q96RU2 7/20 0.47
MAPT P10636 4/20 0.46
ATM Q13315 3/20 0.46
IKBKB O14920 2/20 0.46
LIMK1 P53667 2/20 0.46
CHUK O15111 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
BTK Q06187 1/20 0.46
USP25 Q9UHP3 6/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC14A1 Q13336 1/20 0.44
GAA P10253 2/20 0.43

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 0.88 USP28 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL20731112 0.88 IKBKB (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL21457814 0.84 KDM4E (0.63) KDM4EALDH1A1HPGDSMN1; SMN2USP28
SCHEMBL21704060 0.82 USP28 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL22645007 0.79 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL20731139 0.76 IKBKB (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL20731810 0.76 LIMK1 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL19769230 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL12562427 0.73 LIMK1 (0.77) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL24248117 0.72 IKBKB (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HTT

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 2 patents. 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
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed