SCHEMBL30397242

SCHEMBL30397242

C#Cc1ccn2c([C@H]3CCC[C@@H](Nc4ccc(C(F)(F)F)cn4)C3)nnc2c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
PIM1 P11309 3/20 0.38
PDE10A Q9Y233 1/20 0.37
HCRTR1 O43613 7/20 0.36
CCR6 P51684 7/20 0.36
MAPK13 O15264 1/20 0.34

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
SCHEMBL25526404 1.00 DPP4 (0.38) DPP4PIM1PDE10AHCRTR1CCR6
SCHEMBL30397353 0.91 CCR6 (0.44) DPP4PIM1PDE10AHCRTR1CCR6
SCHEMBL25526391 0.88 PDE10A (0.37) DPP4PIM1PDE10AHCRTR1CCR6
SCHEMBL30397336 0.86 PDE10A (0.40) DPP4PIM1PDE10AHCRTR1CCR6
SCHEMBL25526368 0.86 PDE10A (0.40) DPP4PIM1PDE10AHCRTR1CCR6
SCHEMBL30397932 0.74 BTK (0.43) PIM1MAPK13
SCHEMBL13579863 0.73 AURKA (0.58) DPP4PIM1PDE10AHCRTR1CCR6
SCHEMBL30397422 0.73 CCNK (0.34) HCRTR1MAPK13
SCHEMBL17220293 0.73 AURKA (0.58) DPP4PIM1PDE10AHCRTR1CCR6
SCHEMBL15739705 0.71 HCRTR1 (0.55) DPP4HCRTR1CCR6

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