SCHEMBL21704416

SCHEMBL21704416

COCNC1CCc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
GPR119 Q8TDV5 6/20 0.38
ALDH1A1 P00352 1/20 0.38
ALK Q9UM73 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.37
TLR9 Q9NR96 1/20 0.37
DPP4 P27487 1/20 0.37
KIT P10721 1/20 0.36
CXCR2 P25025 1/20 0.36
HPGDS O60760 1/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 1/20 0.36
NSD2 O96028 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL20732039 0.82 KIT (0.42) GPR119ALDH1A1ALKTLR9DPP4
SCHEMBL20723028 0.82 KIT (0.42) GPR119ALDH1A1ALKTLR9DPP4
SCHEMBL30059936 0.82 KIT (0.42) GPR119ALDH1A1ALKTLR9DPP4
SCHEMBL21684984 0.80 ACHE (0.45) GPR119ALDH1A1TLR9KITMAPT
SCHEMBL20722673 0.80 ACHE (0.45) GPR119ALDH1A1TLR9KITMAPT
SCHEMBL30061862 0.74 USP28 (0.52) ALDH1A1MAPT
SCHEMBL21684866 0.74 USP28 (0.52) ALDH1A1MAPT
SCHEMBL20722457 0.74 USP28 (0.52) ALDH1A1MAPT
SCHEMBL2414006 0.74 GPR119 (0.47) GPR119ALDH1A1ALKTLR9DPP4
SCHEMBL31264270 0.70 EPHX1 (0.57) GPR119ALDH1A1MAPT

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