SCHEMBL12606259

SCHEMBL12606259

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 5/20 0.58
▸ SYK P43405 1/20 0.57
▸ AURKB Q96GD4 6/20 0.44
▸ GSK3B P49841 6/20 0.44
▸ CDK7 P50613 5/20 0.44
▸ LRRK2 Q5S007 4/20 0.44
▸ JAK2 O60674 4/20 0.44
▸ LCK P06239 4/20 0.44
▸ GSK3A P49840 4/20 0.44
▸ BTK Q06187 1/20 0.44
▸ BRD4 O60885 1/20 0.42
▸ RIPK1 Q13546 5/20 0.41
▸ AURKA O14965 5/20 0.40
▸ RET P07949 5/20 0.40
▸ ABL1 P00519 4/20 0.40
▸ FLT3 P36888 4/20 0.40
▸ CDK5 Q00535 4/20 0.40
▸ PRKAA1 Q13131 4/20 0.40
▸ KDR P35968 4/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.40

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
SCHEMBL12605918 0.85 SYK (0.53) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL12606292 0.85 SYK (0.61) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL7168366 0.85 IGF1R (0.61) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL1777884 0.84 IGF1R (0.63) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL12606282 0.83 SYK (0.58) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL1778861 0.82 IGF1R (0.61) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL12606271 0.81 SYK (0.66) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL1778605 0.81 SYK (0.61) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL5618430 0.79 SYK (0.58) IGF1RSYKAURKBGSK3BCDK7
SCHEMBL1778196 0.79 IGF1R (0.67) IGF1RSYKAURKBGSK3BCDK7

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
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
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