SCHEMBL10464952

SCHEMBL10464952

CSc1nc(C2CCCCC2)[nH]c(=O)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
PKM P14618 1/20 0.43
RAPGEF4 Q8WZA2 7/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.38
CXCR2 P25025 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL10466353 0.72 GAA (1.00) GAAPKMMEN1LMNAHPGD
SCHEMBL10271853 0.72 GAA (0.70) GAAPKMMEN1LMNAHPGD
SCHEMBL10272163 0.72 GAA (0.56) GAAJAK2JAK1TYK2JAK3
SCHEMBL7291641 0.70 PKM (0.40) GAAJAK2JAK1TYK2JAK3
SCHEMBL15188821 0.67 RAPGEF4 (0.53) JAK2JAK1TYK2JAK3RAPGEF4
SCHEMBL10272180 0.67 GAA (0.60) GAAPKMMEN1LMNAHPGD
SCHEMBL2715940 0.67 GAA (0.60) GAARAPGEF4MEN1LMNAHPGD
SCHEMBL27389215 0.67 DRD1 (0.47) MEN1LMNAKMT2AADORA2AADORA2B
SCHEMBL10465098 0.66 USP2 (0.39) GAAPKMRAPGEF4MEN1LMNA
SCHEMBL15188812 0.65 RAPGEF4 (0.51) GAAJAK2JAK1TYK2JAK3

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
US-4900829-A 2,4-disubstituted-5-cyano-1,6-dihydro-6-oxo-1-pyrimidineacetic acid aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1990-02-13 US disclosed
US-4786638-A TREATMENT OR PREVENTION OF DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-11-22 US disclosed