SCHEMBL25524691

SCHEMBL25524691

O=C(O)C1CCc2nnc([C@H]3CCC[C@@H](Nc4ncc(C(F)(F)F)c(OC5COC5)n4)C3)n2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 10/20 0.39
ULK1 O75385 1/20 0.35
PTK2 Q05397 2/20 0.35
HSD11B1 P28845 2/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
P2RX7 Q99572 2/20 0.32
MAPK8 P45983 1/20 0.32
CDK1 P06493 1/20 0.31

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
SCHEMBL30397712 1.00 MAPK3 (0.39) MAPK3ULK1PTK2HSD11B1CDK2
SCHEMBL25524693 0.92 MAPK3 (0.37) MAPK3ULK1PTK2CDK2P2RX7
SCHEMBL30396844 0.92 MAPK3 (0.37) MAPK3ULK1PTK2CDK2P2RX7
SCHEMBL30397182 0.92 MAPK3 (0.37) MAPK3ULK1PTK2CDK2P2RX7
SCHEMBL25524694 0.92 MAPK3 (0.37) MAPK3ULK1PTK2CDK2P2RX7
SCHEMBL25418820 0.92 MAPK3 (0.37) MAPK3ULK1PTK2CDK2P2RX7
SCHEMBL30397312 0.90 MAPK10 (0.35) MAPK3ULK1PTK2CDK2KDR
SCHEMBL25419412 0.88 MAPK3 (0.39) MAPK3ULK1PTK2HSD11B1CDK2
SCHEMBL30398006 0.88 MAPK3 (0.39) MAPK3ULK1PTK2HSD11B1CDK2
SCHEMBL25532471 0.87 MAPK3 (0.36) MAPK3ULK1PTK2HSD11B1CDK2

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