SCHEMBL22955562

SCHEMBL22955562

Cc1cc(-c2ncc(F)cn2)cc(C)c1C1C(=O)CC(C2CCN(C(=O)CC#N)CC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 11/20 0.36
JAK2 O60674 11/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
JAK1 P23458 6/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL22954977 0.86 MAPT (0.36) TLR9TLR8TLR7
SCHEMBL22955949 0.85 ACACB (0.35)
SCHEMBL21361224 0.83 JAK1 (0.39) JAK3JAK2CCNT1CDK9JAK1
SCHEMBL22955564 0.81 ACHE (0.41)
SCHEMBL22954965 0.80 ALDH1A1 (0.35) JAK3JAK2JAK1FNTAFNTB
SCHEMBL22954969 0.79 LMNA (0.33)
SCHEMBL22954963 0.78 ACACB (0.32)
SCHEMBL22954966 0.78 GAA (0.43)
SCHEMBL24120426 0.78 CCNT1 (0.39) JAK3JAK2CCNT1CDK9JAK1
SCHEMBL22955119 0.74 CYP11B1 (0.38)

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-2021018833-A1 CYCLOHEXANEDIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed