SCHEMBL31434366

SCHEMBL31434366

NC(=O)Cc1ccc2cccc(F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.48
PFKFB3 Q16875 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
PIM1 P11309 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CCR1 P32246 1/20 0.36
GRM2 Q14416 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL14610937 0.82 CCR1 (0.52) PARP1LMNAPIM1ALDH1A1CCR1
SCHEMBL30461061 0.82 PARP1 (0.49) PARP1PIM1PDE10ACCR1CYP1A2
SCHEMBL31434429 0.81 PARP1 (0.51) PARP1PFKFB3PIM1PDE10ACCR1
SCHEMBL7806536 0.78 CCR1 (0.63) PARP1PFKFB3ADORA2AADORA1LMNA
SCHEMBL28431844 0.76 GAA (0.50) LMNAKMT2ACYSLTR2CYSLTR1ALDH1A1
SCHEMBL14911977 0.75 PDE10A (0.45) PARP1PFKFB3ADORA2AADORA1LMNA
SCHEMBL23374469 0.74 MBOAT4 (0.38) PARP1ADORA2A
SCHEMBL3710009 0.74 PARP1 (0.54) PARP1PFKFB3LMNAKMT2ACYSLTR2
SCHEMBL9018899 0.74 PDE10A (0.44) PARP1PFKFB3LMNAKMT2ACYSLTR2
SCHEMBL6196701 0.74 CCR1 (0.63) PARP1PFKFB3ADORA2AADORA1LMNA

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-119462501-A Preparation method of 2-quinolinamide compound promoted by acidic ionic liquid 内蒙古民族大学 2025-02-18 CN disclosed