SCHEMBL25840263

SCHEMBL25840263

CCc1c(C(F)(F)F)ncc(C(F)(F)F)c1N

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
MBOAT4 Q96T53 6/20 0.33
POLB P06746 1/20 0.33
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL25296233 0.82 MAP3K12 (0.32) KDM4EMBOAT4
SCHEMBL3449189 0.76 MBOAT4 (0.36) MBOAT4NOS3NOS2
SCHEMBL21279619 0.70 KDM5B (0.36) KDM4EKDM5BNOS3NOS2
SCHEMBL25840262 0.69 KDM4E (0.54) KDM4EPOLB
SCHEMBL25256319 0.68 ASPH (0.31)
SCHEMBL8804672 0.67 KIF11 (0.36) POLB
SCHEMBL16668061 0.67 MAP3K12 (0.36) KDM4EMBOAT4
SCHEMBL15412486 0.67 NOS2 (0.39) KDM4EMBOAT4POLBNOS2
SCHEMBL232921 0.66 HEXA (0.43) KDM4E
SCHEMBL232036 0.66 MBOAT4 (0.48) KDM4EMBOAT4

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-2023125877-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed