SCHEMBL4439645

SCHEMBL4439645

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(NC(=O)NCCN(C)C(=O)O)c(C(=O)N(C)C)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.41
PTPN11 Q06124 1/20 0.40
ATM Q13315 2/20 0.36
ABL1 P00519 2/20 0.36
IGF1R P08069 6/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3R1 P27986 1/20 0.33
RPTOR Q8N122 1/20 0.33
PIK3R5 Q8WYR1 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
SCHEMBL3561535 0.92 MAP4K1 (0.39) MAP4K1PTPN11ATMABL1IGF1R
SCHEMBL13342628 0.83 MAP4K1 (0.42) MAP4K1PTPN11ABL1MAPTTSHR
SCHEMBL3564795 0.83 MAP4K1 (0.44) MAP4K1PTPN11ABL1MAPTTSHR
SCHEMBL3565148 0.82 MAP4K1 (0.59) MAP4K1PTPN11ABL1MAPTTSHR
SCHEMBL3568123 0.82 PTPN11 (0.48) MAP4K1PTPN11MAPTTSHRSMN1; SMN2
SCHEMBL3565147 0.82 MAP4K1 (0.48) MAP4K1PTPN11ABL1MAPTTSHR
SCHEMBL13342660 0.81 MAP4K1 (0.39) MAP4K1PTPN11MAPTKDM4ETSHR
SCHEMBL14208401 0.80 PTPN11 (0.42) MAP4K1PTPN11ABL1MAPTTSHR
SCHEMBL3568986 0.79 MAP4K1 (0.44) MAP4K1PTPN11ABL1PIK3CAMAPT
SCHEMBL3563287 0.79 PTPN11 (0.43) MAP4K1PTPN11ABL1PIK3CAMAPT

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
EP-2134343-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed