SCHEMBL5085558

SCHEMBL5085558

Cc1cc(-c2ccccc2)nc2cc(-c3cn(C4CCC(CN)CC4)c4ncncc34)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.37
ABL1 P00519 3/20 0.36
EGFR P00533 3/20 0.36
ABL2 P42684 3/20 0.36
AXL P30530 7/20 0.36
TYRO3 Q06418 7/20 0.36
MERTK Q12866 7/20 0.36
RIPK2 O43353 3/20 0.36
FLT3 P36888 5/20 0.36
IGF1R P08069 1/20 0.35
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
AHR P35869 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL399909 0.86 SRC (0.56) SRCABL1EGFRABL2TYRO3
SCHEMBL5083287 0.84 IGF1R (0.38) SRCABL1EGFRABL2TYRO3
SCHEMBL5084774 0.78 SRC (0.37) SRCABL1EGFRABL2AXL
SCHEMBL5082715 0.78 FLT3 (0.42) SRCABL1EGFRAXLTYRO3
SCHEMBL399351 0.78 SRC (0.49) SRCABL1EGFRABL2TYRO3
SCHEMBL398127 0.75 RIPK2 (0.47) SRCABL1EGFRABL2TYRO3
SCHEMBL401320 0.74 PIK3CD (0.52) SRCABL1EGFRIGF1R
SCHEMBL5161210 0.74 AHR (0.39) IGF1RNOS3NOS1NOS2AHR
SCHEMBL400270 0.74 SRC (0.55) SRCABL1EGFRABL2AXL
SCHEMBL402582 0.72 SRC (0.61) SRCABL1EGFRABL2TYRO3

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