SCHEMBL19984022

SCHEMBL19984022

CNCc1cn(Sc2cccc(C(F)(F)F)c2)c2cc(Nc3ccc(OC)cc3F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
GAK O14976 1/20 0.37
KDR P35968 1/20 0.35
ADRB2 P07550 1/20 0.34
APP P05067 1/20 0.34
MAPK14 Q16539 3/20 0.34
MITF O75030 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.32
AXL P30530 1/20 0.32
SLC20A2 Q08357 1/20 0.32
SLC20A1 Q8WUM9 1/20 0.32
FGFR2 P21802 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19984027 0.92 MAPK14 (0.37) AKR1C3AKR1C2GAKMAPK14POLB
SCHEMBL19983777 0.89 ADRB2 (0.37) GAKADRB2MAPK14
SCHEMBL19983937 0.88 MPO (0.37) APPPOLBMAPTALDH1A1
SCHEMBL19983791 0.86 KDR (0.33) AKR1C3AKR1C2GAKKDRADRB2
SCHEMBL19984021 0.86 GAK (0.40) AKR1C3AKR1C2GAKKDRAPP
SCHEMBL19983907 0.85 FPR1 (0.36) KDRMAPK14POLBMAPTALDH1A1
SCHEMBL19983844 0.84 ALDH1A1 (0.35) MAPK14GSK3BPOLBMAPTFGFR2
SCHEMBL19984024 0.82 MAPK14 (0.38) MAPK14POLBMAPTFGFR2
SCHEMBL19984029 0.82 APP (0.35) AKR1C3AKR1C2APPMAPT
SCHEMBL16626503 0.81 HTR6 (0.43) AKR1C3AKR1C2MAPTAXLSLC20A2

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed