SCHEMBL16718838

SCHEMBL16718838

N#CCC(=O)N1CCC(NC(=O)c2c(NC(=O)O)nn3cccnc23)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ BTK Q06187 6/20 0.41
▸ JAK2 O60674 11/20 0.39
▸ JAK3 P52333 11/20 0.39
▸ JAK1 P23458 7/20 0.38
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ USP30 Q70CQ3 1/20 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
SCHEMBL16718875 0.87 KDM4E (0.44) KDM4EHSD17B10JAK2JAK3JAK1
SCHEMBL16729330 0.82 JAK3 (0.47) JAK2JAK3JAK1
SCHEMBL16729327 0.81 KDM4E (0.47) KDM4EHSD17B10JAK2JAK3JAK1
SCHEMBL16718880 0.79 JAK2 (0.39) KDM4EHSD17B10JAK2JAK3JAK1
SCHEMBL16718861 0.78 ACKR3 (0.45) JAK2JAK3JAK1USP30
SCHEMBL16718884 0.76 JAK2 (0.43) JAK2JAK3JAK1USP30
SCHEMBL16718864 0.75 GRM4 (0.41) BTKJAK2JAK3JAK1
SCHEMBL16718883 0.74 ALDH1A1 (0.43) KDM4EHSD17B10BTKJAK2JAK1
SCHEMBL16718850 0.73 GRM4 (0.47) JAK2JAK3JAK1
SCHEMBL16718811 0.71 JAK3 (0.42) KDM4EBTKJAK2JAK3JAK1

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-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 — — WO disclosed
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