SCHEMBL26645714

SCHEMBL26645714

Cc1c[nH]c2nccc(-c3c(Nc4ccc(Cl)cc4F)nn4c3CN(C(=O)OC(C)(C)C)CC4)c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 6/20 0.48
▸ USP30 Q70CQ3 1/20 0.40
▸ CYP3A4 P08684 3/20 0.38
▸ CYP3A5 P20815 2/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ BTK Q06187 1/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ CDK9 P50750 4/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL30623070 0.96 MKNK1 (0.45) MKNK1USP30CYP3A4CYP3A5GPR119
SCHEMBL26644962 0.88 JAK3 (0.43) MKNK1BTK
SCHEMBL30622362 0.88 JAK3 (0.43) MKNK1BTK
SCHEMBL26645323 0.84 CCNT1 (0.42) MKNK1CYP3A4BTKJAK1CDK9
SCHEMBL30622881 0.84 CCNT1 (0.42) MKNK1CYP3A4BTKJAK1CDK9
SCHEMBL30623059 0.83 JAK1 (0.43) MKNK1GPR119BTKJAK1CDK9
SCHEMBL26645701 0.83 JAK1 (0.43) MKNK1GPR119BTKJAK1CDK9
SCHEMBL26645590 0.82 CYP3A4 (0.41) MKNK1USP30CYP3A4CYP3A5GPR119
SCHEMBL26645524 0.82 MKNK1 (0.52) MKNK1USP30CYP3A4CYP3A5GPR119
SCHEMBL30622787 0.81 BTK (0.40) MKNK1GPR119BTKJAK1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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