SCHEMBL26644947

SCHEMBL26644947

C=CC(=O)N1CCn2nc(-c3ccc(OC)cc3)c(-c3ccnc4[nH]cc(C)c34)c2C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.44
▸ LIMK1 P53667 6/20 0.41
▸ LIMK2 P53671 2/20 0.39
▸ BTK Q06187 5/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ KIT P10721 1/20 0.36
▸ JAK2 O60674 1/20 0.36

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
SCHEMBL30622424 1.00 JAK3 (0.44) JAK3LIMK1LIMK2BTKFGFR2
SCHEMBL30622345 0.90 JAK3 (0.45) JAK3LIMK1BTK
SCHEMBL26644977 0.90 JAK3 (0.45) JAK3BTKFGFR2
SCHEMBL26644982 0.90 JAK3 (0.45) JAK3LIMK1BTK
SCHEMBL30622428 0.90 JAK3 (0.45) JAK3BTKFGFR2
SCHEMBL30622385 0.88 JAK3 (0.43) JAK3BTKITK
SCHEMBL30622399 0.88 JAK3 (0.43) JAK3LIMK1LIMK2BTK
SCHEMBL26644935 0.88 JAK3 (0.43) JAK3LIMK1LIMK2BTK
SCHEMBL26644879 0.88 JAK3 (0.43) JAK3BTKITK
SCHEMBL30622314 0.88 JAK3 (0.41) JAK3LIMK1BTKFGFR2ITK

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