SCHEMBL31114701

SCHEMBL31114701

CC(C)(C)OC(=O)Nc1nc2ccc(Nc3cccc(C(F)(F)F)n3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.54
CSNK1D P48730 2/20 0.45
DYRK1A Q13627 2/20 0.44
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL25255289 1.00 LCK (0.54) LCKCSNK1DDYRK1ARAB9AHSD17B10
SCHEMBL25303576 0.88 LCK (0.56) LCKCSNK1DDYRK1ARAB9AKMT2A
SCHEMBL31114499 0.88 LCK (0.56) LCKCSNK1DDYRK1ARAB9AKMT2A
SCHEMBL31114561 0.83 LCK (0.50) LCKCSNK1DDYRK1ARAB9A
SCHEMBL25260578 0.83 LCK (0.50) LCKCSNK1DDYRK1ARAB9A
SCHEMBL30450350 0.83 LCK (0.51) LCKDYRK1ARAB9AKMT2AMEN1
SCHEMBL25256567 0.83 LCK (0.54) LCKRAB9AKMT2APOLBMAPT
SCHEMBL30451152 0.83 LCK (0.54) LCKRAB9AKMT2APOLBMAPT
SCHEMBL31114633 0.82 DYRK1A (0.51) LCKCSNK1DDYRK1A
SCHEMBL25303404 0.82 DYRK1A (0.51) LCKCSNK1DDYRK1A

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
CN-118660885-A Norbornene analogs and their use as potentiators of antitubercular drugs 国家医疗保健研究所 2024-09-17 CN disclosed