SCHEMBL22226941

SCHEMBL22226941

CCOC(=O)c1cnc2c(c1)CCN2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.61
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.43
JAK2 O60674 3/20 0.41
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL22226923 0.92 NNMT (0.63) NNMTCYP2C9CYP2C19JAK2PLK4
SCHEMBL22226925 0.91 NNMT (0.58) NNMTCYP2C9CYP2C19CA12CA1
SCHEMBL13332908 0.84 NNMT (0.66) NNMTPIK3C3MAPK1ALDH1A1KMT2A
SCHEMBL22226927 0.83 NNMT (0.43) NNMTCYP2C9CYP2C19CA12CA1
SCHEMBL22225994 0.80 GRM5 (0.45) NNMTCYP2C9CYP2C19MAPK1ALDH1A1
SCHEMBL25345966 0.78 CYP2C9 (0.43) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL30527021 0.78 CYP2C9 (0.43) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL31396199 0.78 CYP2C9 (0.46) NNMTCYP2C9CYP2C19JAK2PLK4
SCHEMBL25345052 0.77 CYP2C9 (0.43) CYP2C9CYP2C19CA12CA1CA2
Hydrochloric Acid SCHEMBL25345056 0.77 CYP2C9 (0.43) CYP2C9CYP2C19CA12CA1CA2

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
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed