SCHEMBL13816040

SCHEMBL13816040

CNCCOc1cccc(Nc2nccc(-c3scnc3C3=CCCC(N(C)C(=O)c4cc(F)ccc4F)=C3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 7/20 0.36
▸ CDC7 O00311 2/20 0.35
▸ CDK19 Q9BWU1 1/20 0.35
▸ INSR P06213 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ JAK2 O60674 5/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ AIMP2 Q13155 1/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ SYK P43405 3/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CHUK O15111 1/20 0.33

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
SCHEMBL1641931 0.73 IGF1R (0.53) IGF1RCDC7CDK19INSREGFR
SCHEMBL13816025 0.71 IGF1R (0.41) IGF1RCDK19INSREGFRERBB2
SCHEMBL1642090 0.71 SLC2A1 (0.47) IGF1RCDC7CDK19INSREGFR
SCHEMBL1641973 0.69 IGF1R (0.50) IGF1RCDC7CDK19INSREGFR
SCHEMBL12766485 0.67 IGF1R (0.56) IGF1RINSREGFRERBB2SYK
SCHEMBL1642000 0.66 IGF1R (0.43) IGF1RCDC7INSREGFRERBB2
SCHEMBL13815935 0.66 CYP3A4 (0.35) IGF1RSYKIKBKBAURKACHUK
Formic Acid SCHEMBL1641976 0.65 IGF1R (0.54) IGF1RINSREGFRERBB2SYK
SCHEMBL13816259 0.65 SLC2A1 (0.56) IGF1RINSREGFRERBB2SYK
Formic Acid SCHEMBL1642003 0.63 SLC2A1 (0.54) IGF1RINSREGFRERBB2SYK

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-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 — — WO disclosed
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