SCHEMBL30480922

SCHEMBL30480922

Cc1cnc(N)nc1-c1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 12/20 0.76
▸ CDK5 Q00535 7/20 0.64
▸ CDK5R1 Q15078 7/20 0.64
▸ GSK3B P49841 1/20 0.64
▸ DYRK1A Q13627 1/20 0.55
▸ MAP3K14 Q99558 1/20 0.48
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL18662657 0.86 CLK1 (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL29431253 0.86 CLK1 (0.57) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL29466936 0.77 JAK1 (0.62) JAK1JAK2
SCHEMBL26987746 0.76 CLK1 (0.46) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL30756821 0.76 CLK1 (0.46) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL23130605 0.74 CLK1 (0.59) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL30018377 0.74 CLK1 (0.59) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL20400706 0.74 JAK2 (0.62) JAK1JAK2
SCHEMBL24474748 0.74 JAK1 (0.67) JAK1JAK2
SCHEMBL16075920 0.74 CLK1 (0.71) CLK1CDK5CDK5R1GSK3BDYRK1A

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
EP-4219482-A1 COMPOUNDS AND METHODS FOR INHIBITING JAK DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-08-02 — — EP disclosed
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