SCHEMBL30622313

SCHEMBL30622313

Cc1c[nH]c2nccc(-c3c(-c4ccc5cc(F)sc5c4)nn4c3CN(C(=O)/C=C/CN(C)C)CC4)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ BTK Q06187 4/20 0.32
▸ ITK Q08881 2/20 0.32
▸ EGFR P00533 6/20 0.32
▸ MAPK8 P45983 3/20 0.32
▸ MAPK9 P45984 3/20 0.32
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ BLK P51451 1/20 0.31

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
SCHEMBL26645465 1.00 JAK3 (0.34) JAK3JAK2JAK1TYK2FLT3
SCHEMBL26644839 0.89 JAK3 (0.40) JAK3BTKCSNK1DCSNK1E
SCHEMBL30622311 0.89 JAK3 (0.40) JAK3BTKCSNK1DCSNK1E
SCHEMBL30622354 0.86 BTK (0.38) JAK3JAK2JAK1TYK2FLT3
SCHEMBL26645352 0.85 BTK (0.41) JAK3JAK2JAK1TYK2FLT3
SCHEMBL30622371 0.85 BTK (0.41) JAK3JAK2JAK1TYK2FLT3
SCHEMBL26644870 0.85 LIMK1 (0.37) JAK3JAK2JAK1TYK2FLT3
SCHEMBL30622420 0.85 LIMK1 (0.37) JAK3JAK2JAK1TYK2FLT3
SCHEMBL30622901 0.85 CSNK1E (0.33) CSNK1DCSNK1E
SCHEMBL26645485 0.85 CSNK1E (0.33) CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP claimed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO claimed
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 — — EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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