SCHEMBL5138539

SCHEMBL5138539

Clc1cc2ccc(-c3ccccc3)nc2cc1-c1nc(C2CC(CN3CCC3)C2)n2ccncc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 16/20 0.58
CYP3A4 P08684 9/20 0.58
INSR P06213 3/20 0.58
KDR P35968 2/20 0.58
EGFR P00533 1/20 0.58
ROCK2 O75116 2/20 0.41
LYN P07948 2/20 0.41
RET P07949 2/20 0.41
FGFR1 P11362 2/20 0.41
FLT4 P35916 2/20 0.41
FLT3 P36888 2/20 0.41
FRK P42685 2/20 0.41
ROCK1 Q13464 2/20 0.41
ERBB4 Q15303 2/20 0.41
AURKB Q96GD4 2/20 0.41
MAP4K5 Q9Y4K4 2/20 0.41
PRKD3 O94806 1/20 0.41
RPS6KB1 P23443 1/20 0.41
STK3 Q13188 1/20 0.41
PTK6 Q13882 1/20 0.41

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
SCHEMBL5138428 0.88 IGF1R (0.47) IGF1RCYP3A4INSRKDREGFR
SCHEMBL402423 0.85 IGF1R (0.79) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5082145 0.82 IGF1R (0.39) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5139332 0.78 IGF1R (0.57) IGF1RCYP3A4INSRKDREGFR
SCHEMBL399838 0.77 IGF1R (0.58) IGF1RCYP3A4INSRKDREGFR
SCHEMBL401795 0.77 IGF1R (0.66) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5138538 0.76 IGF1R (0.40) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5137559 0.75 IGF1R (0.45) IGF1RCYP3A4INSRKDREGFR
SCHEMBL5085578 0.75 IGF1R (0.55) IGF1RCYP3A4INSRKDREGFR
SCHEMBL1683109 0.74 IGF1R (0.71) IGF1RCYP3A4INSRKDREGFR

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-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed