SCHEMBL12606265

SCHEMBL12606265

Cn1cc(-c2cc3cccnc3[nH]2)c2cc(C(C)(C)O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.63
▸ IGF1R P08069 5/20 0.62
▸ GSK3B P49841 5/20 0.47
▸ CDK7 P50613 5/20 0.47
▸ AURKB Q96GD4 5/20 0.47
▸ LRRK2 Q5S007 4/20 0.47
▸ JAK2 O60674 4/20 0.47
▸ LCK P06239 4/20 0.47
▸ GSK3A P49840 4/20 0.47
▸ BTK Q06187 1/20 0.47
▸ RIPK1 Q13546 10/20 0.45
▸ RET P07949 5/20 0.42
▸ AURKA O14965 4/20 0.42
▸ ABL1 P00519 4/20 0.42
▸ FLT3 P36888 4/20 0.42
▸ CDK5 Q00535 4/20 0.42
▸ PRKAA1 Q13131 4/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ KDR P35968 3/20 0.42
▸ PAK4 O96013 3/20 0.42

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
SCHEMBL1777660 0.84 IGF1R (0.67) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL1777888 0.83 IGF1R (0.65) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL1777423 0.82 IGF1R (0.67) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL22067931 0.82 IGF1R (0.67) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL1776843 0.81 SYK (0.61) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL1778206 0.81 SYK (0.61) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL1778784 0.80 SYK (0.71) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL28757494 0.80 IGF1R (0.62) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL12606269 0.80 IGF1R (0.62) SYKIGF1RGSK3BCDK7AURKB
SCHEMBL1779125 0.80 SYK (0.71) SYKIGF1RGSK3BCDK7AURKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 — — US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 — — US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 — — EP disclosed
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