SCHEMBL27006391

SCHEMBL27006391

Cc1cc(-c2ccc(C#N)c(F)c2)c(-c2ccc3nccn3n2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.41
JAK2 O60674 2/20 0.41
RET P07949 2/20 0.41
KDR P35968 2/20 0.41
GSK3A P49840 2/20 0.41
RPS6KA3 P51812 2/20 0.41
LIMK1 P53667 2/20 0.41
MAP2K1 Q02750 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALK Q9UM73 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
MAPK14 Q16539 1/20 0.41
EGLN2 Q96KS0 6/20 0.41
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 7/20 0.38
SLC22A12 Q96S37 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37

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
SCHEMBL27006549 0.84 DYRK1A (0.41) DYRK1AJAK2RETKDRGSK3A
SCHEMBL27006141 0.82 PDE4A (0.49) DYRK1AJAK2EGLN2TGFBR1CYP11B1
SCHEMBL27005131 0.76 KDM1A (0.47)
SCHEMBL27005346 0.76 KDM1A (0.47)
SCHEMBL27006151 0.73 EGLN2 (0.39) EGLN2CYP11B1CYP11B2SLC22A12
SCHEMBL27005844 0.72 CYP11B1 (0.45) EGLN2CYP11B1CYP11B2
SCHEMBL27005050 0.70 ESR1 (0.48) CYP11B1CYP11B2
SCHEMBL27006058 0.69 CYP11B2 (0.45) CYP11B1CYP11B2
SCHEMBL27005607 0.69 KDM1A (0.47) CYP11B1CYP11B2
SCHEMBL27009752 0.68 CYP11B1 (0.45) EGLN2CYP11B1CYP11B2

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-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed