SCHEMBL28976387

SCHEMBL28976387

Cc1nc(C2CCC(F)(F)CC2)c(C(C)C)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ CAMK1D Q8IU85 3/20 0.36
▸ PARP1 P09874 3/20 0.35
▸ PARP2 Q9UGN5 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK3 P27361 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ SYK P43405 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ FFAR2 O15552 1/20 0.32

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
SCHEMBL28976931 0.86 SCN10A (0.40) SCN10ACAMK1DPARP1PARP2MAPK8
SCHEMBL28976382 0.85 SCN10A (0.39) SCN10ACAMK1DPARP1PARP2MAPK8
SCHEMBL28976616 0.82 SCN10A (0.38) SCN10ACAMK1DPARP1PARP2GPR52
SCHEMBL28976510 0.82 IRAK4 (0.41) SCN10A
SCHEMBL28976419 0.81 KDM4E (0.40) SCN10APARP1PARP2GPR52KDM4E
SCHEMBL28976476 0.79 SCN10A (0.41) SCN10ACAMK1DPARP1PARP2MAPK8
SCHEMBL28976697 0.73 SCN10A (0.37) SCN10APARP1PARP2KDM1AMAOB
SCHEMBL28976949 0.73 CAMK1D (0.40) SCN10ACAMK1DPARP1PARP2MAPK8
SCHEMBL28976707 0.72 CAMK1D (0.39) SCN10ACAMK1DPARP1PARP2MAPK8
SCHEMBL28976633 0.70 DGAT1 (0.38) SCN10APARP1PARP2FFAR2

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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