SCHEMBL28976575

SCHEMBL28976575

Cc1nc(C(N)=O)nc(C2CCC(F)(F)CC2)c1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ FFAR2 O15552 1/20 0.33
▸ PARP1 P09874 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL2196963 0.82 MAPK1 (0.34) SCN10AMAPK1
SCHEMBL28976633 0.75 DGAT1 (0.38) SCN10AFFAR2PARP1PARP2
SCHEMBL28976697 0.75 SCN10A (0.37) SCN10AFFAR2PARP1PARP2KDM1A
SCHEMBL28976577 0.74 SCN10A (0.33) SCN10AFFAR2
SCHEMBL28976931 0.72 SCN10A (0.40) SCN10AFFAR2PARP1PARP2KDM1A
SCHEMBL28976949 0.72 CAMK1D (0.40) SCN10APARP1PARP2KDM1AMAOB
SCHEMBL28976382 0.71 SCN10A (0.39) SCN10AFFAR2PARP1PARP2KDM1A
SCHEMBL28456316 0.70 MAPK1 (0.43) PARP1MAPK1
SCHEMBL28976948 0.69 MAP3K14 (0.35) SCN10APARP1PARP2KDM1AMAOB
SCHEMBL28976927 0.69 PARP1 (0.33) SCN10AFFAR2PARP1PARP2KDM1A

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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