SCHEMBL21453201

SCHEMBL21453201

CC(Br)C(=O)N(C)Cc1cnc(C2CN(C(=O)OC(C)(C)C)C2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ GPR119 Q8TDV5 4/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ NR1H2 P55055 1/20 0.33

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
SCHEMBL21435100 0.86 — —
SCHEMBL21449369 0.80 HPGDS (0.48) HPGDSKDM4EJAK3DDB1CRBN
SCHEMBL21449414 0.77 HPGDS (0.48) HPGDSKDM4EJAK3DDB1CRBN
SCHEMBL21453678 0.76 — —
SCHEMBL21435034 0.76 MAP4K1 (0.32) KDM4E
SCHEMBL21434991 0.74 — —
SCHEMBL21435020 0.69 CACNA1G (0.36) HPGDS
SCHEMBL29129054 0.68 KDM4E (0.42) HPGDSKDM4EJAK3DDB1CRBN
SCHEMBL1299764 0.65 KDM4E (0.44) HPGDSKDM4EJAK3GPR119JAK1
SCHEMBL25296230 0.64 GPR119 (0.43) HPGDSKDM4EGPR119USP30NR1H2

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-2019195846-A1 IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-10 — — WO disclosed
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