SCHEMBL15096003

SCHEMBL15096003

CC(=O)N/C=C\n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 13/20 0.69
▸ INSR P06213 5/20 0.55
▸ LYN P07948 4/20 0.55
▸ ROCK2 O75116 3/20 0.55
▸ LCK P06239 3/20 0.55
▸ FGFR1 P11362 3/20 0.55
▸ FLT4 P35916 3/20 0.55
▸ KDR P35968 3/20 0.55
▸ FLT3 P36888 3/20 0.55
▸ AURKA O14965 2/20 0.55
▸ CHEK2 O96017 2/20 0.55
▸ CSF1R P07333 2/20 0.55
▸ RPS6KB1 P23443 2/20 0.55
▸ MARK3 P27448 2/20 0.55
▸ CSNK1D P48730 2/20 0.55
▸ BLK P51451 2/20 0.55
▸ NEK2 P51955 2/20 0.55
▸ LIMK1 P53667 2/20 0.55
▸ STK3 Q13188 2/20 0.55
▸ ROCK1 Q13464 2/20 0.55

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
SCHEMBL11411928 0.82 IGF1R (0.78) IGF1RINSRLYNROCK2LCK
SCHEMBL11342654 0.82 IGF1R (1.00) IGF1RINSRLYNROCK2LCK
SCHEMBL11343650 0.81 IGF1R (0.77) IGF1RINSRLYNROCK2LCK
SCHEMBL15109623 0.80 IGF1R (0.70) IGF1RINSRLYNROCK2LCK
SCHEMBL12438496 0.79 IGF1R (0.73) IGF1RINSRLYNROCK2LCK
SCHEMBL12438699 0.79 IGF1R (0.75) IGF1RINSRLYNROCK2LCK
SCHEMBL5936295 0.79 IGF1R (0.76) IGF1RINSRLYNROCK2LCK
SCHEMBL14050381 0.79 IGF1R (0.72) IGF1RINSRLYNROCK2LCK
SCHEMBL6760209 0.78 IGF1R (0.61) IGF1RINSRLYNROCK2LCK
SCHEMBL11350290 0.77 IGF1R (0.77) IGF1RINSRLYNROCK2LCK

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
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 — — US disclosed
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