SCHEMBL27809481

SCHEMBL27809481

CCn1cc(-c2ccnc(Nc3cc[c]cc3)n2)c2ccncc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.49
▸ CDK2 P24941 6/20 0.47
▸ DYRK1B Q9Y463 2/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ DYRK1A Q13627 3/20 0.42
▸ ACVR1 Q04771 4/20 0.42
▸ EGFR P00533 3/20 0.42
▸ CDK4 P11802 3/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ DYRK2 Q92630 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ DYRK4 Q9NR20 1/20 0.41
▸ HDAC1 Q13547 2/20 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
SCHEMBL2540053 0.88 GSK3B (0.50) GSK3BCDK2DYRK1BMKNK2DYRK1A
SCHEMBL27809474 0.88 GSK3B (0.48) GSK3BCDK2DYRK1BMKNK2DYRK1A
SCHEMBL2545739 0.84 CCNT1 (0.57) GSK3BCDK2IGF1R
SCHEMBL2542950 0.82 ACVR1 (0.61) GSK3BCDK2DYRK1BMKNK2DYRK1A
SCHEMBL27809436 0.82 GSK3B (0.44) GSK3BCDK2MKNK2DYRK1AACVR1
SCHEMBL2543346 0.82 MKNK2 (0.51) GSK3BCDK2DYRK1BMKNK2DYRK1A
SCHEMBL2543938 0.81 ACVR1 (0.61) CDK2DYRK1BDYRK1AACVR1CDK4
SCHEMBL2542328 0.80 CDK1 (0.59) GSK3BCDK2
SCHEMBL2541867 0.79 FLT3 (0.55) GSK3BCDK2DYRK1BDYRK1AACVR1
SCHEMBL2545785 0.78 BTK (0.53) CDK2ACVR1EGFRCLK1HDAC1

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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