SCHEMBL24865745

SCHEMBL24865745

CNC(=O)c1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1NC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.44
MAPK9 P45984 4/20 0.44
FGFR1 P11362 8/20 0.41
EGFR P00533 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
JAK1 P23458 1/20 0.39
PTK2 Q05397 3/20 0.38
PKMYT1 Q99640 2/20 0.38
MAPK8 P45983 1/20 0.38
INSR P06213 1/20 0.38
IGF1R P08069 1/20 0.38
PTK2B Q14289 1/20 0.38
SLC2A1 P11166 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
SCHEMBL24865362 0.90 MAPK10 (0.42) MAPK10MAPK9FGFR1EGFRSCN10A
SCHEMBL24865040 0.87 MAPK10 (0.41) MAPK10MAPK9FGFR1EGFRSCN10A
SCHEMBL24865741 0.78 CNR2 (0.34) MAPK10MAPK9EGFRMAPK8
SCHEMBL24865300 0.77 CNR2 (0.34)
SCHEMBL24865675 0.76 OPRK1 (0.36)
SCHEMBL24865618 0.76 CNR2 (0.36) PTK2
SCHEMBL30885112 0.76 CNR2 (0.36) PTK2
SCHEMBL30336093 0.76 DRD2 (0.38) FGFR1
SCHEMBL24865620 0.76 DRD2 (0.38) FGFR1
SCHEMBL25042072 0.76 HRH3 (0.47)

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-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed