SCHEMBL30622798

SCHEMBL30622798

CC(C)(C)OC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]ccc34)c2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 6/20 0.46
▸ MAPK14 Q16539 6/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ CSNK1E P49674 4/20 0.43
▸ JAK1 P23458 4/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ CDK9 P50750 4/20 0.39
▸ CCNT1 O60563 3/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL26645620 1.00 CSNK1D (0.46) CSNK1DMAPK14MAPK11CSNK1EJAK1
SCHEMBL30622774 0.95 CSNK1D (0.43) CSNK1DMAPK14MAPK11CSNK1EJAK1
SCHEMBL24547959 0.88 CSNK1D (0.50) CSNK1DMAPK14MAPK11CSNK1EEGFR
SCHEMBL29993957 0.88 CSNK1D (0.50) CSNK1DMAPK14MAPK11CSNK1EEGFR
SCHEMBL26645860 0.86 CSNK1D (0.41) CSNK1DMAPK14CSNK1EJAK1CDK9
SCHEMBL26645523 0.85 CSNK1E (0.42) CSNK1DCSNK1EGRIA1CDK9CCNT1
SCHEMBL30622795 0.85 CSNK1E (0.42) CSNK1DCSNK1EGRIA1CDK9CCNT1
SCHEMBL30623067 0.85 JAK1 (0.43) CSNK1DMAPK14JAK1JAK2TYK2
SCHEMBL26645007 0.85 JAK1 (0.43) CSNK1DMAPK14JAK1JAK2TYK2
SCHEMBL26644979 0.85 CSNK1D (0.49) CSNK1DMAPK14MAPK11CSNK1EJAK1

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
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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