SCHEMBL25533147

SCHEMBL25533147

N[C@@H]1CCC[C@H](c2nnc3cc(OC(F)F)ccn23)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
MAPK13 O15264 4/20 0.36
IGF1R P08069 3/20 0.35
BTK Q06187 1/20 0.31
FPR1 P21462 1/20 0.30
FPR2 P25090 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
SCHEMBL25523929 0.85 GRM2 (0.40) GRM2MAPK13
SCHEMBL25526353 0.78 GRM2 (0.43) GRM2MAPK13
SCHEMBL25522679 0.78 GRM2 (0.40) GRM2MAPK13BTK
SCHEMBL25524467 0.77 MAPK13 (0.41) MAPK13BTK
SCHEMBL30397422 0.77 CCNK (0.34) GRM2MAPK13
SCHEMBL25521381 0.75 GRM2 (0.40) GRM2MAPK13
SCHEMBL30397938 0.75 MAPK13 (0.42) GRM2MAPK13BTK
SCHEMBL30397669 0.74 MAPK13 (0.41) GRM2MAPK13BTK
SCHEMBL30397943 0.74 MAPK13 (0.41) GRM2MAPK13BTK
SCHEMBL30397855 0.74 MAPK14 (0.42) GRM2

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