SCHEMBL26644841

SCHEMBL26644841

C=CC(=O)N1CCn2nc(-c3cccc(C#N)c3)c(-c3ccnc4[nH]cc(C)c34)c2C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.46
▸ CSNK1E P49674 1/20 0.46
▸ JAK3 P52333 3/20 0.41
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ LRRK2 Q5S007 14/20 0.39
▸ PLCG1 P19174 1/20 0.37
▸ MST1 P26927 1/20 0.37
▸ STK4 Q13043 1/20 0.37
▸ STK3 Q13188 1/20 0.37
▸ STK26 Q9P289 1/20 0.37

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
SCHEMBL30622341 1.00 CSNK1D (0.46) CSNK1DCSNK1EJAK3LIMK1LIMK2
SCHEMBL26644935 0.92 JAK3 (0.43) CSNK1DCSNK1EJAK3LIMK1LIMK2
SCHEMBL30622399 0.92 JAK3 (0.43) CSNK1DCSNK1EJAK3LIMK1LIMK2
SCHEMBL26644961 0.89 JAK3 (0.44) CSNK1DCSNK1EJAK3LIMK1LIMK2
SCHEMBL30622307 0.89 JAK3 (0.44) CSNK1DCSNK1EJAK3LIMK1LIMK2
SCHEMBL26645260 0.87 CSNK1E (0.48) CSNK1DCSNK1ELIMK1LIMK2LRRK2
SCHEMBL30623143 0.87 CSNK1E (0.48) CSNK1DCSNK1ELIMK1LIMK2LRRK2
SCHEMBL30622447 0.87 JAK3 (0.42) JAK3LIMK2LRRK2STK3STK26
SCHEMBL30622443 0.87 JAK3 (0.42) JAK3LIMK2LRRK2STK3STK26
SCHEMBL26644903 0.87 JAK3 (0.42) JAK3LIMK2LRRK2STK3STK26

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
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO claimed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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