SCHEMBL30595901

SCHEMBL30595901

CNc1ncc2c(C)c(Br)c(Cl)nc2n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL25269634 1.00 ROCK1 (0.32) ROCK1LRRK2
SCHEMBL25230025 0.74 FLT3 (0.40) —
SCHEMBL29536830 0.74 FLT3 (0.40) —
SCHEMBL24457858 0.71 LRRK2 (0.35) LRRK2
SCHEMBL27527903 0.69 LRRK2 (0.41) LRRK2
SCHEMBL25227840 0.68 SIK2 (0.38) —
SCHEMBL30078181 0.67 WEE1 (0.45) —
SCHEMBL24885507 0.67 WEE1 (0.45) —
SCHEMBL30595898 0.67 PIK3CA (0.36) —
SCHEMBL25230887 0.67 PIK3CA (0.36) —

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-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 — — CN disclosed
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