SCHEMBL4558092

SCHEMBL4558092

COc1cc(Nc2nccc(-c3c(N)c[c]cc3O)n2)ccc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.54
▸ JAK3 P52333 3/20 0.54
▸ IGF1R P08069 1/20 0.52
▸ CCNT1 O60563 3/20 0.48
▸ CDK9 P50750 3/20 0.48
▸ ZAP70 P43403 1/20 0.47
▸ MAPK10 P53779 2/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ TNIK Q9UKE5 6/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MTOR P42345 1/20 0.44
▸ SMG1 Q96Q15 1/20 0.44
▸ PKMYT1 Q99640 1/20 0.44

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
SCHEMBL12801393 0.84 JAK2 (0.69) JAK2JAK3IGF1RCCNT1CDK9
SCHEMBL13588456 0.81 JAK2 (0.67) JAK2JAK3IGF1RCCNT1CDK9
Hydrochloric Acid SCHEMBL4383810 0.81 JAK2 (0.66) JAK2JAK3IGF1RCCNT1CDK9
SCHEMBL4592600 0.80 CCNT1 (0.57) JAK2JAK3IGF1RCCNT1CDK9
SCHEMBL8093455 0.77 JAK2 (0.61) JAK2JAK3IGF1RCCNT1CDK9
SCHEMBL4159803 0.77 CDK2 (0.72) JAK2JAK3IGF1RCCNT1CDK9
SCHEMBL4376766 0.76 JAK2 (0.72) JAK2JAK3IGF1RCCNT1CDK9
SCHEMBL12801232 0.75 JAK2 (0.61) JAK2JAK3IGF1RZAP70TNIK
SCHEMBL1668203 0.75 JAK2 (0.59) JAK2JAK3IGF1RZAP70TNIK
SCHEMBL4159168 0.75 CDK2 (0.71) JAK2JAK3IGF1RCCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
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