SCHEMBL24865770

SCHEMBL24865770

CNc1cc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)ccc1N(CCN(C)C)N=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.31
BCL6 P41182 1/20 0.30
BRAF P15056 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL24865300 0.87 CNR2 (0.34) CNR2JAK2BCL6HRH3
SCHEMBL24865658 0.76 SYK (0.34) CNR2JAK2HRH3
SCHEMBL24865741 0.76 CNR2 (0.34) CNR2JAK2EGFRBCL6HRH3
SCHEMBL24865771 0.76 MAPK13 (0.33) CNR2EGFRBCL6
SCHEMBL24865745 0.73 MAPK10 (0.44) EGFR
SCHEMBL24865618 0.72 CNR2 (0.36) CNR2JAK2BCL6HRH3
SCHEMBL30885112 0.72 CNR2 (0.36) CNR2JAK2BCL6HRH3
SCHEMBL25189837 0.71 CNR2 (0.34) CNR2JAK2EGFRBCL6
SCHEMBL24865675 0.71 OPRK1 (0.36) CNR2HRH3
SCHEMBL31123214 0.70 BCL6 (0.49) CNR2JAK2BCL6HRH3

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