SCHEMBL29929666

SCHEMBL29929666

Nc1nc(N)n(-c2nc(C(F)(F)F)nc3ccccc23)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.55
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
CCNE2 O96020 8/20 0.46
CCNE1 P24864 8/20 0.46
CDK2 P24941 8/20 0.46
CDK4 P11802 5/20 0.46
CCND1 P24385 5/20 0.46
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.43
ADORA2A P29274 1/20 0.42
BACE1 P56817 1/20 0.40

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
SCHEMBL29928610 0.78 MEN1 (0.49) ALDH1A1KMT2ARAB9ABACE1
SCHEMBL29500202 0.72 GAA (0.62) TLR7GAAALDH1A1MAPTCCNE2
SCHEMBL162372 0.72 GAA (0.62) TLR7GAAALDH1A1MAPTCCNE2
Hydrochloric Acid SCHEMBL30010992 0.71 GAA (0.60) TLR7GAAALDH1A1MAPTCCNE2
SCHEMBL28057497 0.68 GAA (0.61) TLR7GAAALDH1A1MAPTCCNE2
SCHEMBL14136367 0.68 TLR7 (0.76) TLR7ALDH1A1CCNE2CCNE1CDK2
SCHEMBL2710555 0.68 TLR7 (0.76) TLR7ALDH1A1MAPTCCNE2CCNE1
SCHEMBL28218668 0.66 TSHR (0.54) ALDH1A1MAPTRAB9A
SCHEMBL8942018 0.66 TSHR (0.58) ALDH1A1MAPTKMT2ARAB9A
SCHEMBL29927588 0.66 AXL (0.51) ALDH1A1MAPTRAB9ABACE1

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-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed