SCHEMBL26644864

SCHEMBL26644864

C=CC(=O)N1CCn2nc(Nc3ccc(C(F)(F)F)cc3)c(-c3ccnc4[nH]cc(C)c34)c2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.42
▸ EGFR P00533 3/20 0.38
▸ BTK Q06187 6/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ TEAD1 P28347 2/20 0.34

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
SCHEMBL30622304 1.00 JAK3 (0.42) JAK3EGFRBTKBRD4CREBBP
SCHEMBL26645701 0.88 JAK1 (0.43) JAK3BTKBRD4CREBBPTRPV1
SCHEMBL30623059 0.88 JAK1 (0.43) JAK3BTKBRD4CREBBPTRPV1
SCHEMBL30622385 0.88 JAK3 (0.43) JAK3EGFRBTKTEAD1
SCHEMBL26644879 0.88 JAK3 (0.43) JAK3EGFRBTKTEAD1
SCHEMBL30622359 0.84 JAK3 (0.40) JAK3EGFRBTK
SCHEMBL26644930 0.84 JAK3 (0.40) JAK3EGFRBTK
SCHEMBL30622404 0.83 JAK3 (0.41) JAK3BTK
SCHEMBL26644850 0.83 JAK3 (0.41) JAK3BTK
SCHEMBL30622339 0.82 CSNK1E (0.46) JAK3EGFRBTKCNR2

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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