SCHEMBL28976707

SCHEMBL28976707

Cc1nc(C2CCC(F)(F)CC2)cc(C(N)=O)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 2/20 0.39
▸ PARP1 P09874 2/20 0.36
▸ PARP2 Q9UGN5 2/20 0.36
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ MAPK3 P27361 2/20 0.33
▸ SYK P43405 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33

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
SCHEMBL28976949 0.88 CAMK1D (0.40) CAMK1DPARP1PARP2GSK3AGSK3B
SCHEMBL28976326 0.80 POLB (0.38) CAMK1DPARP1PARP2GSK3AGSK3B
SCHEMBL28976371 0.78 CAMK1D (0.39) CAMK1DGSK3B
SCHEMBL28976539 0.77 CAMK1D (0.39) CAMK1DPARP1PARP2MAPK8KDM4E
SCHEMBL28976382 0.76 SCN10A (0.39) CAMK1DPARP1PARP2CYP2D6CYP2B6
SCHEMBL28976476 0.76 SCN10A (0.41) CAMK1DPARP1PARP2MAPTKDM1A
SCHEMBL28976931 0.75 SCN10A (0.40) CAMK1DPARP1PARP2CYP2D6CYP2B6
SCHEMBL28976616 0.72 SCN10A (0.38) CAMK1DPARP1PARP2CYP2D6CYP2B6
SCHEMBL28976387 0.72 SCN10A (0.38) CAMK1DPARP1PARP2CYP2D6CYP2B6
SCHEMBL28976516 0.70 PARP1 (0.40) PARP1PARP2CYP2D6CYP2B6KDM1A

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
CN-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 — — CN disclosed
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