SCHEMBL26645640

SCHEMBL26645640

COc1cc(-c2c(-c3ccc(F)cc3)nn3c2CN(C(=O)OC(C)(C)C)CC3)ccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 10/20 0.44
▸ CSNK1D P48730 6/20 0.44
▸ TBK1 Q9UHD2 1/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ CFTR P13569 1/20 0.40
▸ SLC34A1 Q06495 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ CKS1B P61024 2/20 0.37
▸ SKP1 P63208 2/20 0.37
▸ SKP2 Q13309 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ F2RL1 P55085 1/20 0.37

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
SCHEMBL26645795 0.89 CSNK1E (0.47) CSNK1ECSNK1DGRIA1SLC34A1
SCHEMBL24553785 0.88 CSNK1E (0.44) CSNK1ECSNK1DGRIA1ADORA2AKIT
SCHEMBL29682898 0.88 CSNK1E (0.44) CSNK1ECSNK1DGRIA1ADORA2AKIT
SCHEMBL26645020 0.86 CSNK1E (0.45) CSNK1ECSNK1DGRIA1SLC34A1
SCHEMBL26645681 0.86 CSNK1E (0.48) CSNK1ECSNK1DGRIA1CKS1BSKP1
SCHEMBL26644820 0.86 CSNK1E (0.43) CSNK1ECSNK1DADORA2AKIT
SCHEMBL26645306 0.85 MAPK14 (0.49) CSNK1ECSNK1D
SCHEMBL26645300 0.84 CSNK1E (0.43) CSNK1ECSNK1DSLC34A1CCNT1CDK9
SCHEMBL30622893 0.82 CSNK1E (0.41) CSNK1ECSNK1DGRIA1SLC34A1
SCHEMBL30623021 0.81 CSNK1E (0.44) CSNK1ECSNK1DGRIA1CKS1BSKP1

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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