SCHEMBL25776382

SCHEMBL25776382

CC(C)c1cc(C(N)=O)nc2[nH]ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ JAK3 P52333 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ GRK2 P25098 1/20 0.34

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
SCHEMBL25786281 0.80 GRM2 (0.42) PRKCIDYRK1ARIPK1IKBKBCHUK
SCHEMBL25235562 0.77 PRKCI (0.42) PRKCIDYRK1ARIPK1IKBKBCHUK
SCHEMBL17998720 0.76 DYRK1A (0.41) DYRK1AIKBKBCHUKJAK3CIT
SCHEMBL17998756 0.75 JAK1 (0.46) JAK3JAK1
SCHEMBL24117359 0.74 ADORA2A (0.35) PRKCIDYRK1ANUDT1CIT
SCHEMBL17998718 0.74 ADORA2A (0.46) PRKCIDYRK1AJAK3JAK2LMNA
SCHEMBL25242649 0.73 PRKCI (0.36) PRKCIDYRK1ARIPK1IKBKBCHUK
SCHEMBL21915045 0.73 LMNA (0.41) PRKCIDYRK1AJAK3JAK2NUDT1
SCHEMBL681636 0.73 DYRK1A (0.34) PRKCIDYRK1AJAK3JAK2NUDT1
SCHEMBL25238351 0.72 LMNA (0.35) PRKCIDYRK1ARIPK1IKBKBCHUK

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-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 — — WO disclosed
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