SCHEMBL28974169

SCHEMBL28974169

Cc1nn(C)c(C(N)=O)c1C1CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.36
▸ PARP1 P09874 3/20 0.33
▸ PARP2 Q9UGN5 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ TEAD1 P28347 1/20 0.32
▸ TEAD4 Q15561 1/20 0.32
▸ TEAD2 Q15562 1/20 0.32
▸ PIM3 Q86V86 2/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ LTK P29376 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ MAP2K2 P36507 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CLK2 P49760 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
SCHEMBL4177951 0.87 KDM4E (0.39) KDM4EPIM3DAPK3PRKD3MAP4K4
SCHEMBL28974193 0.84 RET (0.33) KDM1APARP1PARP2OPRM1TEAD1
SCHEMBL28976439 0.83 PARP1 (0.31) KDM1APARP1PARP2OPRM1TEAD1
SCHEMBL28976913 0.83 PARP1 (0.31) PARP1PARP2OPRM1TEAD1TEAD4
SCHEMBL30281182 0.83 TEAD1 (0.34) PARP1PARP2OPRM1TEAD1TEAD4
SCHEMBL30281265 0.76 JAK2 (0.35) KDM1APARP1PARP2OPRM1
SCHEMBL28976914 0.75 KDM1A (0.31) KDM1APARP1PARP2MAOB
SCHEMBL28976466 0.72 PARP1 (0.33) KDM1APARP1PARP2OPRM1MAOB
SCHEMBL28976948 0.70 MAP3K14 (0.35) KDM1APARP1PARP2OPRM1DYRK1A
SCHEMBL28976927 0.70 PARP1 (0.33) KDM1APARP1PARP2OPRM1MAOB

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 2 patents. 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
CN-115867348-A Imidazopyrimidines as IL-17 modulators 詹森药业有限公司 2023-03-28 — — CN disclosed
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