SCHEMBL23699577

SCHEMBL23699577

Cc1ccccc1C(=O)c1c[nH]c2ncnc(N3CCN(C(=O)O)C(C(C)(C)C)C3)c12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 5/20 0.54
BTK Q06187 15/20 0.51

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
SCHEMBL23699623 0.85 BTK (0.59) BTK
SCHEMBL23699612 0.83 LIMK2 (0.53) LIMK2
SCHEMBL2253308 0.81 LIMK2 (0.49) LIMK2
SCHEMBL16637073 0.80 LRRK2 (0.57) LIMK2
SCHEMBL15664955 0.78 BTK (0.72) BTK
SCHEMBL2253934 0.76 LRRK2 (0.48) LIMK2
SCHEMBL2253944 0.76 LRRK2 (0.48) LIMK2
SCHEMBL29230309 0.75 KIT (0.55) BTK
SCHEMBL15664432 0.74 BTK (0.60) BTK
SCHEMBL3647730 0.72 LIMK2 (0.74) LIMK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP claimed
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP disclosed