SCHEMBL30848568

SCHEMBL30848568

CC(=Cc1ccc(-c2c(Br)c3c(N)ncc(C#N)c3n2C)c(F)c1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.34
BACE2 Q9Y5Z0 7/20 0.34
CTSD P07339 3/20 0.34
LRRK2 Q5S007 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL30848627 0.80 BTK (0.32)
SCHEMBL30848700 0.80 CYP3A4 (0.47) ALOX5APFEN1
SCHEMBL31310383 0.79 LRRK2 (0.43) LRRK2
SCHEMBL30326383 0.79 CYP3A4 (0.37) BACE1LRRK2ALOX5APFEN1
SCHEMBL30326372 0.79 CYP3A4 (0.37) BACE1LRRK2ALOX5APFEN1
SCHEMBL29265928 0.79 CYP3A4 (0.37) BACE1LRRK2ALOX5APFEN1
SCHEMBL29265903 0.71 LRRK2 (0.37) LRRK2
SCHEMBL30326712 0.71 LRRK2 (0.37) LRRK2
SCHEMBL29265829 0.69 EGFR (0.41)
SCHEMBL30326640 0.66 DYRK1A (0.40) LRRK2

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
CN-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN disclosed