SCHEMBL12606282

SCHEMBL12606282

CCNC(=O)NCc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.58
▸ IGF1R P08069 3/20 0.54
▸ RIPK1 Q13546 8/20 0.47
▸ JAK2 O60674 3/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ CDK7 P50613 3/20 0.41
▸ LRRK2 Q5S007 3/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ LCK P06239 2/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ BTK Q06187 1/20 0.41
▸ KDR P35968 3/20 0.39
▸ AURKA O14965 2/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ RET P07949 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ ROCK1 Q13464 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
SCHEMBL12606292 0.90 SYK (0.61) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL12606271 0.85 SYK (0.66) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL12606288 0.83 SYK (0.51) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL12606259 0.83 IGF1R (0.58) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL12606314 0.83 SYK (0.53) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL12606327 0.82 SYK (0.53) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL6421536 0.82 SYK (0.49) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL1778605 0.82 SYK (0.61) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL12606307 0.82 SYK (0.53) SYKIGF1RRIPK1JAK2GSK3B
SCHEMBL7168366 0.81 IGF1R (0.61) SYKIGF1RRIPK1JAK2GSK3B

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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