SCHEMBL27809474

SCHEMBL27809474

CCn1cc(-c2ccnc(Nc3c[c]ccc3)n2)c2ccncc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.48
▸ CDK2 P24941 4/20 0.47
▸ DYRK1B Q9Y463 2/20 0.47
▸ MKNK2 Q9HBH9 2/20 0.47
▸ ACVR1 Q04771 3/20 0.42
▸ EGFR P00533 5/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ DYRK3 O43781 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ DYRK4 Q9NR20 1/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39

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
SCHEMBL27809481 0.88 GSK3B (0.49) GSK3BCDK2DYRK1BMKNK2ACVR1
SCHEMBL28787549 0.83 GSK3B (0.43) GSK3BCDK2MKNK2ACVR1EGFR
SCHEMBL2540053 0.83 GSK3B (0.50) GSK3BCDK2DYRK1BMKNK2ACVR1
SCHEMBL2543346 0.82 MKNK2 (0.51) GSK3BCDK2DYRK1BMKNK2EGFR
SCHEMBL2542328 0.81 CDK1 (0.59) GSK3BCDK2
SCHEMBL2545739 0.78 CCNT1 (0.57) GSK3BCDK2IGF1R
SCHEMBL2542950 0.77 ACVR1 (0.61) GSK3BCDK2DYRK1BMKNK2ACVR1
SCHEMBL2543915 0.77 ACVR1 (0.53) CDK2DYRK1BACVR1DYRK1ADYRK3
SCHEMBL2544927 0.77 JAK2 (0.56) CDK2DYRK1BACVR1EGFRDYRK1A
SCHEMBL2543938 0.76 ACVR1 (0.61) CDK2DYRK1BACVR1DYRK1AIGF1R

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
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 — — CN claimed
CN-101723936-A Kinase suppressor and pharmaceutical application thereof SHANGHAI GENOMICS INC 2010-06-09 — — CN disclosed
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