SCHEMBL20161403

SCHEMBL20161403

Cc1ccc(N2CCN(C(=O)CCOCCOCCOCCOCCNC(=O)CCCCC3SCC4NC(=O)NC43)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
PKM P14618 2/20 0.57
NOXO1 Q8NFA2 1/20 0.57
TXK P42681 1/20 0.56
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56
F2 P00734 2/20 0.56
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
TPSAB1 Q15661 2/20 0.56
EP300 Q09472 1/20 0.55
FOLH1 Q04609 4/20 0.55
HSP90AB1 P08238 1/20 0.52
MAP3K7 O43318 1/20 0.51
PLG P00747 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51

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
SCHEMBL23365942 0.92 CA12 (0.58) CA12CA1CA2CA9PKM
SCHEMBL23365946 0.92 CA12 (0.58) CA12CA1CA2CA9PKM
SCHEMBL20161540 0.87 F2 (0.62) CA12CA1CA2CA9PKM
SCHEMBL23365917 0.86 F2 (0.63) CA12CA1CA2CA9PKM
SCHEMBL23365916 0.85 F2 (0.60) PKMNOXO1F2PRSS1PRSS2
SCHEMBL27089673 0.84 TXK (0.48) CA12CA1CA2CA9PKM
SCHEMBL19261534 0.83 F2 (0.60) CA12CA1CA2CA9PKM
SCHEMBL15216220 0.82 F2 (0.73) CA12CA1CA2CA9PKM
SCHEMBL19017236 0.82 F2 (0.73) CA12CA1CA2CA9PKM
SCHEMBL19751698 0.82 F2 (0.73) CA12CA1CA2CA9PKM

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