SCHEMBL5083760

SCHEMBL5083760

NCC1CCC(n2nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c3cncnc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.44
INSR P06213 3/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PRKDC P78527 2/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
MTOR P42345 1/20 0.33
EPHB4 P54760 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
SCHEMBL5139324 0.87 ALDH1A1 (0.38) IGF1RINSRALDH1A1CYP1A2HPGD
SCHEMBL399522 0.85 PIK3CD (0.50) IGF1RINSRPIK3CDPIK3CAPIK3CB
SCHEMBL5139584 0.83 IGF1R (0.40) IGF1RINSREGFR
SCHEMBL5137414 0.81 IGF1R (0.41) IGF1RINSRALDH1A1CYP1A2HPGD
SCHEMBL5086449 0.81 CYP1A2 (0.36) IGF1RALDH1A1CYP1A2HPGDALOX15
SCHEMBL399311 0.76 KDR (0.49) IGF1RPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5258556 0.73 SRC (0.43) IGF1RINSRALDH1A1CYP1A2HPGD
SCHEMBL399505 0.73 EGFR (0.47) IGF1RPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL401210 0.72 IGF1R (0.58) IGF1RINSRPIK3CDPIK3CAPIK3CB
SCHEMBL399698 0.72 BTK (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 3 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-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed