SCHEMBL26645701

SCHEMBL26645701

Cc1c[nH]c2nccc(-c3c(Nc4ccc(C(F)(F)F)cc4)nn4c3CN(C(=O)OC(C)(C)C)CC4)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 8/20 0.43
▸ JAK2 O60674 5/20 0.43
▸ MAPT P10636 1/20 0.40
▸ BTK Q06187 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ MKNK1 Q9BUB5 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK6 Q00534 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
SCHEMBL30623059 1.00 JAK1 (0.43) JAK1JAK2MAPTBTKNR3C1
SCHEMBL30622304 0.88 JAK3 (0.42) BTKBRD4CREBBPTRPV1JAK3
SCHEMBL26644864 0.88 JAK3 (0.42) BTKBRD4CREBBPTRPV1JAK3
SCHEMBL30622881 0.86 CCNT1 (0.42) JAK1JAK2BTKJAK3PTK2
SCHEMBL26645323 0.86 CCNT1 (0.42) JAK1JAK2BTKJAK3PTK2
SCHEMBL26645714 0.83 MKNK1 (0.48) JAK1JAK2BTKMKNK1GPR119
SCHEMBL30622787 0.82 BTK (0.40) JAK1BTKJAK3MKNK1GPR119
SCHEMBL26645177 0.82 BTK (0.40) JAK1BTKJAK3MKNK1GPR119
SCHEMBL26645254 0.81 MAPT (0.48) JAK1JAK2MAPTNR3C1BRD4
SCHEMBL30622795 0.80 CSNK1E (0.42) BTKCDK9

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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