SCHEMBL30397294

SCHEMBL30397294

N#Cc1ccn2c([C@H]3CCC[C@@H](OC(N)=O)C3)nnc2c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.37
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
TNK2 Q07912 1/20 0.31
FASN P49327 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TGFBR1 P36897 1/20 0.30
TNKS O95271 1/20 0.30
CETP P11597 1/20 0.30
MGLL Q99685 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
SCHEMBL30397944 0.82 MAPK13 (0.41) MAPK13GRM2TGFBR1
SCHEMBL25521381 0.80 GRM2 (0.40) MAPK13GRM2TNK2TNKS
SCHEMBL30397971 0.80 MAPK13 (0.36) MAPK13GRM2
SCHEMBL30397831 0.76 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL25517516 0.75 DRD2 (0.43) MAPK13
SCHEMBL30397873 0.74 MAPK14 (0.35) TGFBR1
SCHEMBL30398426 0.73 KDM5A (0.40) ALDH1A1
SCHEMBL30397353 0.69 CCR6 (0.44)
SCHEMBL30397938 0.67 MAPK13 (0.42) MAPK13GRM2HRH3TGFBR1
SCHEMBL25526353 0.63 GRM2 (0.43) MAPK13GRM2

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed