SCHEMBL30397353

SCHEMBL30397353

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 9/20 0.44
DPP4 P27487 2/20 0.42
PIM1 P11309 4/20 0.38
PDE10A Q9Y233 1/20 0.37
HCRTR1 O43613 4/20 0.36

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 0.91 DPP4 (0.38) CCR6DPP4PIM1PDE10AHCRTR1
SCHEMBL30397242 0.91 DPP4 (0.38) CCR6DPP4PIM1PDE10AHCRTR1
SCHEMBL25526391 0.88 PDE10A (0.37) CCR6DPP4PIM1PDE10AHCRTR1
SCHEMBL30397336 0.86 PDE10A (0.40) CCR6DPP4PIM1PDE10AHCRTR1
SCHEMBL25526368 0.86 PDE10A (0.40) CCR6DPP4PIM1PDE10AHCRTR1
SCHEMBL25417681 0.78 CCNK (0.48) CCR6PIM1
SCHEMBL30396777 0.76 CCNK (0.39)
SCHEMBL25533792 0.75 IGF1R (0.36) CCR6HCRTR1
SCHEMBL30397120 0.75 CDK7 (0.36)
SCHEMBL30397946 0.75 CDK7 (0.38)

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