SCHEMBL30281178

SCHEMBL30281178

Cc1nc(NC(=O)CC(C)C(F)(F)F)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
JAK2 O60674 3/20 0.33
SRC P12931 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
TGFBR1 P36897 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL25295028 0.72 MAP4K1 (0.37) SMN1; SMN2ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL19720097 0.70 L3MBTL1 (0.44) ADORA3ADORA2AADORA1GAA
SCHEMBL13905270 0.65 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1TLR7
SCHEMBL3958356 0.65 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1TLR7
SCHEMBL13560302 0.64 ECE1 (0.37)
SCHEMBL27425089 0.63 TAS2R38 (0.33)
SCHEMBL19198416 0.63 LMNA (0.36) SMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL28974170 0.63
SCHEMBL28974164 0.63
SCHEMBL28974196 0.63

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
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed