SCHEMBL12606327

SCHEMBL12606327

CCn1nc(C)cc1C(=O)NCc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.53
▸ IGF1R P08069 2/20 0.47
▸ RIPK1 Q13546 5/20 0.39
▸ KDR P35968 2/20 0.37
▸ STING1 Q86WV6 5/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ RET P07949 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL12606292 0.83 SYK (0.61) SYKIGF1RRIPK1KDRJAK2
SCHEMBL12606282 0.82 SYK (0.58) SYKIGF1RRIPK1KDRJAK2
SCHEMBL12606271 0.79 SYK (0.66) SYKIGF1RRIPK1KDRJAK2
SCHEMBL12606259 0.77 IGF1R (0.58) SYKIGF1RRIPK1KDRJAK2
SCHEMBL12606314 0.76 SYK (0.53) SYKIGF1RRIPK1JAK2LCK
SCHEMBL1778605 0.76 SYK (0.61) SYKIGF1RRIPK1JAK2LCK
SCHEMBL12606307 0.76 SYK (0.53) SYKIGF1RRIPK1KDRJAK2
SCHEMBL12606288 0.76 SYK (0.51) SYKIGF1RRIPK1KDRJAK2
SCHEMBL7168366 0.75 IGF1R (0.61) SYKIGF1RRIPK1KDRJAK2
SCHEMBL1777884 0.75 IGF1R (0.63) SYKIGF1RRIPK1KDRJAK2

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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