SCHEMBL4706299

SCHEMBL4706299

COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cc(OCCN(C)C)ccc3C)n2)cc1C(C(N)=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.44
ERBB2 P04626 1/20 0.44
SLC2A1 P11166 2/20 0.40
INSR P06213 1/20 0.40
ABL1 P00519 3/20 0.39
BCR P11274 2/20 0.39
MAPK8 P45983 3/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 1/20 0.38
IGF1R P08069 2/20 0.37
PIK3CG P48736 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
ABCB1 P08183 1/20 0.36
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL4790380 0.91 INSR (0.49) EGFRERBB2SLC2A1INSRABL1
SCHEMBL4703580 0.91 SLC2A1 (0.43) EGFRERBB2SLC2A1INSRABL1
SCHEMBL3537500 0.84 EGFR (0.46) EGFRERBB2SLC2A1INSRABL1
SCHEMBL3544183 0.81 EGFR (0.49) EGFRERBB2SLC2A1INSRABL1
SCHEMBL4705773 0.80 SLC2A1 (0.35) EGFRSLC2A1MAPK8MAPK9MAPK10
SCHEMBL3536948 0.79 EGFR (0.51) EGFRERBB2SLC2A1INSRMAPK8
SCHEMBL3537903 0.76 INSR (0.51) EGFRERBB2SLC2A1INSRABL1
SCHEMBL3540212 0.76 SLC2A1 (0.46) EGFRERBB2SLC2A1INSRMAPK8
SCHEMBL3536782 0.76 SLC2A1 (0.45) EGFRSLC2A1INSRABL1BCR
SCHEMBL14875113 0.72 MAPK8 (0.47) EGFRERBB2SLC2A1MAPK8MAPK9

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-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 EP claimed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 WO claimed