SCHEMBL12438496

SCHEMBL12438496

CC(=O)NCC(C)Cn1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 13/20 0.73
▸ SRC P12931 9/20 0.54
▸ INSR P06213 5/20 0.53
▸ LYN P07948 4/20 0.53
▸ ROCK2 O75116 3/20 0.53
▸ RET P07949 2/20 0.53
▸ ACVR1 Q04771 2/20 0.53
▸ BMPR1B O00238 1/20 0.53
▸ RIPK2 O43353 1/20 0.53
▸ LATS1 O95835 1/20 0.53
▸ YES1 P07947 1/20 0.53
▸ HCK P08631 1/20 0.53
▸ FECH P22830 1/20 0.53
▸ MAP2K2 P36507 1/20 0.53
▸ CSNK1E P49674 1/20 0.53
▸ MAP2K1 Q02750 1/20 0.53
▸ MAP4K2 Q12851 1/20 0.53
▸ STK4 Q13043 1/20 0.53
▸ MAP2K5 Q13163 1/20 0.53
▸ ATR Q13535 1/20 0.53

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 0.88 IGF1R (0.78) IGF1RSRCINSRLYNROCK2
SCHEMBL11343650 0.86 IGF1R (0.77) IGF1RSRCINSRLYNROCK2
SCHEMBL11342654 0.85 IGF1R (1.00) IGF1RSRCINSRLYNROCK2
SCHEMBL15109623 0.82 IGF1R (0.70) IGF1RSRCINSRLYNROCK2
SCHEMBL12438699 0.81 IGF1R (0.75) IGF1RSRCINSRLYNROCK2
SCHEMBL15096003 0.79 IGF1R (0.69) IGF1RSRCINSRLYNROCK2
SCHEMBL1984101 0.78 IGF1R (1.00) IGF1RSRCINSRLYNROCK2
SCHEMBL1983399 0.78 IGF1R (1.00) IGF1RSRCINSRLYNROCK2
SCHEMBL1983400 0.78 IGF1R (1.00) IGF1RSRCINSRLYNROCK2
SCHEMBL11345506 0.78 IGF1R (1.00) IGF1RSRCINSRLYNROCK2

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
EP-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 — — EP disclosed
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