SCHEMBL26220771

SCHEMBL26220771

C=CC(=O)Nc1cnc2c(cnn2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.53
GSTO1 P78417 1/20 0.42
F13A1 P00488 1/20 0.41
TGM1 P22735 1/20 0.41
XDH P47989 1/20 0.40
NR3C1 P04150 4/20 0.40
FGFR1 P11362 3/20 0.40
FGFR4 P22455 3/20 0.40
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
EGFR P00533 4/20 0.38
MAPK3 P27361 1/20 0.38
PTGES O14684 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL31336744 1.00 TGM2 (0.53) TGM2GSTO1F13A1TGM1XDH
SCHEMBL31336535 0.84 TGM2 (0.53) TGM2GSTO1F13A1TGM1NR3C1
SCHEMBL26220773 0.84 TGM2 (0.53) TGM2GSTO1F13A1TGM1NR3C1
SCHEMBL31336618 0.83 TGM2 (0.49) TGM2GSTO1F13A1TGM1NR3C1
SCHEMBL26220306 0.83 TGM2 (0.49) TGM2GSTO1F13A1TGM1NR3C1
SCHEMBL26220769 0.82 TGM2 (0.56) TGM2GSTO1F13A1TGM1NR3C1
SCHEMBL31599360 0.82 TGM2 (0.53) TGM2GSTO1F13A1TGM1NR3C1
SCHEMBL25386283 0.81 NR3C1 (0.50) TGM2F13A1TGM1NR3C1EGFR
SCHEMBL30590830 0.81 NR3C1 (0.50) TGM2F13A1TGM1NR3C1EGFR
SCHEMBL30590826 0.78 TGM2 (0.50) TGM2GSTO1F13A1TGM1NR3C1

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-2023166450-A1 NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2023-09-07 WO disclosed