SCHEMBL5138987

SCHEMBL5138987

NCC1CCC(n2nc(-c3cc4nc(-c5cccs5)ccc4cc3Cl)c3cncnc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.39
ALDH1A1 P00352 8/20 0.39
CYP3A4 P08684 7/20 0.39
CYP2C9 P11712 7/20 0.39
CASP1 P29466 7/20 0.39
CASP7 P55210 7/20 0.39
HSD17B10 Q99714 7/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
MERTK Q12866 1/20 0.33
USP2 O75604 5/20 0.33
CYP2C19 P33261 5/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
RECQL P46063 1/20 0.33
CLK4 Q9HAZ1 3/20 0.32
HIF1A Q16665 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5086449 0.87 CYP1A2 (0.36) CYP1A2ALDH1A1CYP3A4CYP2C9HSD17B10
SCHEMBL397895 0.87 PIK3CD (0.43) EGFRERBB2IGF1RPIK3CDPIK3CA
SCHEMBL5139324 0.83 ALDH1A1 (0.38) CYP1A2ALDH1A1CYP3A4CYP2C9CASP1
SCHEMBL401211 0.78 KDR (0.51) EGFRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5317048 0.77 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP3A4CYP2C9CASP1
SCHEMBL401439 0.77 RIPK2 (0.43) MERTKKCNH2EGFRIGF1RABL1
SCHEMBL5137414 0.76 IGF1R (0.41) CYP1A2ALDH1A1CYP3A4TSHRHPGD
SCHEMBL867973 0.76 PIK3CD (0.53) EGFRERBB2IGF1RPIK3CDPIK3CA
SCHEMBL400087 0.75 KDR (0.43) EGFRERBB2IGF1RPIK3CDPIK3CA
SCHEMBL400250 0.74 PIK3CD (0.48) EGFRERBB2IGF1RPIK3CDPIK3CA

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