SCHEMBL31259699

SCHEMBL31259699

Cn1cc(-c2cc(N)cc(S(N)(=O)=O)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
TTK P33981 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
LOXL2 Q9Y4K0 12/20 0.44
LOXL3 P58215 4/20 0.44
AOC3 Q16853 4/20 0.44
LOX P28300 2/20 0.44
KCNH2 Q12809 3/20 0.43
MAOA P21397 1/20 0.43
CCNT1 O60563 4/20 0.42
CCNB2 O95067 4/20 0.42
CCNE2 O96020 4/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
CDK9 P50750 4/20 0.42

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
SCHEMBL31259731 0.88 LOXL2 (0.55) CCNCCDK8TTKAURKAAURKB
SCHEMBL31259676 0.84 LOXL2 (0.42) CCNCCDK8TTKAURKAAURKB
SCHEMBL31259710 0.84 AURKA (0.43) TTKAURKAAURKBINCENPLOXL2
SCHEMBL31259643 0.79 CCNC (0.47) CCNCCDK8LOXL2LOXL3AOC3
SCHEMBL29764345 0.78 CCNC (0.64) CCNCCDK8CCNT1CCNB2CCNE2
SCHEMBL1571332 0.74 ERN1 (0.46) TTKAURKAAURKBINCENPLOXL2
SCHEMBL626824 0.73 CCNC (0.43) CCNCCDK8CCNT1CCNB2CCNE2
SCHEMBL24582852 0.72 AURKA (0.43) TTKAURKAAURKBINCENPLOXL2
SCHEMBL17680442 0.72 ERN1 (0.49) TTKAURKAAURKBINCENPCCNT1
SCHEMBL19576888 0.72 AXL (0.44) CCNCCDK8TTKAURKAAURKB

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-2024254527-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 WO disclosed