SCHEMBL26644925

SCHEMBL26644925

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 10/20 0.46
▸ CSNK1D P48730 6/20 0.46
▸ JAK3 P52333 3/20 0.41
▸ ITK Q08881 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ KCNK3 O14649 1/20 0.39
▸ BTK Q06187 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35

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
SCHEMBL30622339 1.00 CSNK1E (0.46) CSNK1ECSNK1DJAK3ITKEGFR
SCHEMBL30622385 0.92 JAK3 (0.43) CSNK1ECSNK1DJAK3ITKEGFR
SCHEMBL26644879 0.92 JAK3 (0.43) CSNK1ECSNK1DJAK3ITKEGFR
SCHEMBL30622307 0.89 JAK3 (0.44) CSNK1ECSNK1DJAK3EGFRLIMK1
SCHEMBL26644961 0.89 JAK3 (0.44) CSNK1ECSNK1DJAK3EGFRLIMK1
SCHEMBL30622404 0.89 JAK3 (0.41) CSNK1ECSNK1DJAK3LIMK1LIMK2
SCHEMBL26644850 0.89 JAK3 (0.41) CSNK1ECSNK1DJAK3LIMK1LIMK2
SCHEMBL30622939 0.89 EGFR (0.45) CSNK1ECSNK1DJAK3ITKEGFR
SCHEMBL26645202 0.89 EGFR (0.45) CSNK1ECSNK1DJAK3ITKEGFR
SCHEMBL30622996 0.87 CSNK1E (0.45) CSNK1ECSNK1DLIMK1LIMK2KCNK3

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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