SCHEMBL20161816

SCHEMBL20161816

C=CC(=O)N1CCN(C)CC(F)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TEAD1 P28347 8/20 0.35
UGCG Q16739 1/20 0.34
JAK3 P52333 5/20 0.33
BTK Q06187 3/20 0.33
TEAD3 Q99594 1/20 0.32

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
SCHEMBL20849664 0.81 DPP4 (0.42) TEAD1JAK3TEAD3
SCHEMBL20399740 0.81 DPP4 (0.42) TEAD1JAK3TEAD3
SCHEMBL24689072 0.81 DPP4 (0.42) TEAD1JAK3TEAD3
SCHEMBL27089700 0.78 TEAD1 (0.38) TEAD1JAK3
SCHEMBL22296413 0.76 JAK3 (0.41) JAK3BTK
SCHEMBL17179524 0.76 JAK3 (0.41) JAK3BTK
SCHEMBL23735765 0.76 TET3 (0.34) TEAD1JAK3BTK
SCHEMBL17179528 0.76 JAK3 (0.41) JAK3BTK
SCHEMBL180337 0.76 CYP1A2 (0.54) CYP1A2TDP1
SCHEMBL16707763 0.73 NCF1 (0.32)

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
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 EP disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed