SCHEMBL27299381

SCHEMBL27299381

Cc1ccc(Oc2ccnc(N3CCC(C#N)C3)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
ACACB O00763 1/20 0.39
LRRK2 Q5S007 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
TGFBR1 P36897 2/20 0.35
TACR1 P25103 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
JAK2 O60674 3/20 0.34
TYK2 P29597 3/20 0.34

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
SCHEMBL29834698 0.87 ACACB (0.37) BTKACACBLRRK2HRH3TGFBR1
SCHEMBL29834626 0.79 KDR (0.42) ACACB
SCHEMBL27299248 0.78 ACACB (0.34) ACACBLRRK2SLC6A4
SCHEMBL27312865 0.77 HRH3 (0.38) ACACBHRH3
SCHEMBL27299379 0.72 LRRK2 (0.43) LRRK2KCNH2
SCHEMBL27300805 0.71 LRRK2 (0.34) ACACBLRRK2HRH3TGFBR1KCNH2
SCHEMBL27299255 0.71 LRRK2 (0.44) LRRK2TGFBR1
SCHEMBL27312862 0.70 LRRK2 (0.41) LRRK2TGFBR1
SCHEMBL27299230 0.70 KDR (0.33) ACACBLRRK2HRH3
SCHEMBL25430473 0.70 USP30 (0.52) HRH3

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-2024026056-A2 HETEROARYL COMPOUNDS AS EGFR INHIBITORS AND THEIR USES ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-02-01 WO disclosed