SCHEMBL24674982

SCHEMBL24674982

COc1nc(C(F)(F)F)cnc1N1CCB(C#N)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HRH4 Q9H3N8 2/20 0.31
SQOR Q9Y6N5 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
SCHEMBL24675512 0.78 ADRB1 (0.46) KDM4E
SCHEMBL24675501 0.76 KMT2A (0.42) MEN1KMT2A
SCHEMBL24674692 0.65
SCHEMBL24674720 0.65
SCHEMBL24457886 0.64 AURKA (0.36) KDM4EKMT2A
SCHEMBL24675218 0.64 SCN10A (0.40) KDM4EMEN1KMT2A
SCHEMBL25325014 0.63 KDM4E (0.36) KDM4E
SCHEMBL31365793 0.63 ULK1 (0.35) KDM4E
SCHEMBL25323396 0.63 ULK1 (0.35) KDM4E
SCHEMBL21646445 0.62 GPR6 (0.33) GPR6

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-2022223022-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-10-27 WO disclosed