SCHEMBL30456961

SCHEMBL30456961

NC(=O)c1cc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
PIM1 P11309 2/20 0.50
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
CDK5 Q00535 2/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
RET P07949 1/20 0.50
FGFR1 P11362 1/20 0.50
PRKACA P17612 1/20 0.50
FLT1 P17948 1/20 0.50
LTK P29376 1/20 0.50
GRK5 P34947 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50

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
SCHEMBL15698921 0.87 PTPN2 (0.49) DYRK1APIM1GSK3AGSK3BCDK5
SCHEMBL30568673 0.87 PTPN2 (0.49) DYRK1APIM1GSK3AGSK3BCDK5
SCHEMBL120469 0.85 BCL2L1 (0.54) DYRK1APIM1PTPN2CHRNA7MGLL
SCHEMBL31262807 0.85 BCL2L1 (0.54) DYRK1APIM1PTPN2CHRNA7MGLL
SCHEMBL147472 0.84 CHRNA7 (0.48) DYRK1ACHRNA7MGLLEPHX2SCN4A
SCHEMBL4654119 0.80 HDAC1 (0.52) DYRK1APTPN2CHRNA7CES2PPARA
SCHEMBL21361764 0.77 CHRNA7 (0.46) DYRK1ACHRNA7MGLLEPHX2SCN4A
SCHEMBL3580021 0.77 BCL2L1 (0.49) DYRK1APIM1GSK3AGSK3BCDK5
SCHEMBL3613052 0.77 PTPN2 (0.55) PTPN2CHRNA7HDAC3HDAC4HDAC1
SCHEMBL901372 0.77 CHRNA7 (0.43) DYRK1ACHRNA7MGLLEPHX2SCN4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448508-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118647606-A Benzothiophene derivatives as RXFP1 agonists 百时美施贵宝公司 2024-09-13 CN disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed