SCHEMBL26645146

SCHEMBL26645146

CNc1cc(-c2c(Br)nn3c2CN(C(=O)OC(C)(C)C)CC3)ccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 2/20 0.39
▸ CSNK1E P49674 2/20 0.39
▸ TBK1 Q9UHD2 6/20 0.39
▸ WNT3A P56704 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ KIT P10721 2/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ BUB1 O43683 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ SYK P43405 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
SCHEMBL26645301 0.85 CSNK1D (0.44) CSNK1DCSNK1EUSP30NR1H2POLB
SCHEMBL30623067 0.79 JAK1 (0.43) CSNK1DKIT
SCHEMBL26645007 0.79 JAK1 (0.43) CSNK1DKIT
SCHEMBL26645508 0.77 CDK9 (0.39) CSNK1DCSNK1EKITNR1H2
SCHEMBL30622787 0.77 BTK (0.40) KITNR1H2POLB
SCHEMBL30622918 0.77 CDK9 (0.39) CSNK1DCSNK1EKITNR1H2
SCHEMBL26645177 0.77 BTK (0.40) KITNR1H2POLB
SCHEMBL26645108 0.77 GPR119 (0.43) CSNK1DCSNK1ENR1H2
SCHEMBL26645020 0.76 CSNK1E (0.45) CSNK1DCSNK1E
SCHEMBL30622893 0.76 CSNK1E (0.41) 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 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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