SCHEMBL25596033

SCHEMBL25596033

Cc1nc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ncc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
MAPK3 P27361 13/20 0.49
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
USP30 Q70CQ3 2/20 0.45
IDH1 O75874 1/20 0.44
BTK Q06187 1/20 0.44
ULK1 O75385 1/20 0.43

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
SCHEMBL15938356 0.89 MAPK3 (0.51) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL15938357 0.89 MAPK3 (0.51) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL30398019 0.85 TRPV1 (0.46) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL25531479 0.85 TRPV1 (0.46) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL24704507 0.83 MAPK3 (0.52) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL28543270 0.83 MAPK3 (0.52) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL29647980 0.83 MAPK3 (0.52) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL25596868 0.83 MAPK3 (0.46) TRPV1MAPK3HDAC4HDAC6USP30
SCHEMBL28729828 0.82 MAPK3 (0.58) MAPK3USP30IDH1
SCHEMBL29647993 0.82 MAPK3 (0.58) MAPK3USP30IDH1

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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 EP disclosed