SCHEMBL6633259

SCHEMBL6633259

c1ccc(COc2cccc(-c3cn([C@H]4C[C@H](CN5CCC5)C4)c4ncncc34)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.72
INSR P06213 7/20 0.72
LYN P07948 4/20 0.72
LCK P06239 4/20 0.72
KIT P10721 4/20 0.72
KDR P35968 4/20 0.72
RET P07949 4/20 0.72
SRC P12931 3/20 0.72
FGFR1 P11362 3/20 0.72
FLT1 P17948 3/20 0.72
FLT4 P35916 3/20 0.72
FLT3 P36888 3/20 0.72
ERBB4 Q15303 3/20 0.72
BTK Q06187 3/20 0.72
ACVR1 Q04771 2/20 0.72
PDPK1 O15530 2/20 0.72
EGFR P00533 2/20 0.72
PDGFRA P16234 2/20 0.72
FGFR4 P22455 2/20 0.72
PIK3CG P48736 2/20 0.72

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
SCHEMBL6640150 0.98 IGF1R (0.72) IGF1RINSRLYNLCKKIT
SCHEMBL31652487 0.98 IGF1R (0.72) IGF1RINSRLYNLCKKIT
SCHEMBL6639376 0.97 IGF1R (0.71) IGF1RINSRLYNLCKKIT
SCHEMBL6635961 0.97 IGF1R (0.71) IGF1RINSRLYNLCKKIT
SCHEMBL6636487 0.85 IGF1R (0.58) IGF1RINSRLYNLCKKIT
SCHEMBL6636964 0.85 IGF1R (0.53) IGF1RINSRLYNLCKKIT
SCHEMBL94862 0.84 IGF1R (1.00) IGF1RINSRLYNLCKKIT
SCHEMBL1987652 0.84 IGF1R (1.00) IGF1RINSRLYNLCKKIT
SCHEMBL29561027 0.84 IGF1R (1.00) IGF1RINSRLYNLCKKIT
SCHEMBL1441421 0.84 IGF1R (1.00) IGF1RINSRLYNLCKKIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390369-A1 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES Novartis AG (CH) 2004-02-25 EP claimed
WO-2002092599-A1 4-AMINO-5-PHENYL-7-CYCLOBUTYL-PYRROLO (2,3-D) PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2002-11-21 WO claimed
EP-1476192-A1 METHODS AND COMPOSITIONS FOR TREATING HYPERPROLIFERATIVE CONDITIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2004-11-17 EP disclosed
WO-2003068265-A1 METHODS AND COMPOSITIONS FOR TREATING HYPERPROLIFERATIVE CONDITIONS DANA-FARBER CANCER INSTITUTE INC. (US) 2003-08-21 WO disclosed