SCHEMBL25898740

SCHEMBL25898740

CN1C2CC1CN(c1c(F)cc(N)cc1F)C2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
ACACB O00763 1/20 0.31
KCNH2 Q12809 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
SCHEMBL25900778 0.84 MEN1 (0.33)
SCHEMBL25898689 0.79 ALDH1A1 (0.48) MAPTACACB
SCHEMBL236762 0.79 KDM4E (0.35) MAPT
SCHEMBL4706606 0.76 MAOA (0.33) MAPT
SCHEMBL239087 0.74 MAOA (0.32) MAPTACACB
SCHEMBL238837 0.74 MAOA (0.32) MAPTACACB
SCHEMBL29209046 0.74 KDM4E (0.46) MAPT
SCHEMBL240100 0.74 KDM4E (0.46) MAPT
SCHEMBL5282437 0.74 ACACB (0.36) ACACBKCNH2
SCHEMBL3563045 0.74 SCN9A (0.38) KCNH2

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed