SCHEMBL5132716

SCHEMBL5132716

Nc1ncnn2c(CN3CCN(C(=O)O)CC3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.52
KDR P35968 12/20 0.51
FLT3 P36888 6/20 0.51
FLT1 P17948 6/20 0.51
KIT P10721 6/20 0.51
CSF1R P07333 5/20 0.51
FLT4 P35916 5/20 0.51
FGFR1 P11362 4/20 0.51
LCK P06239 4/20 0.51
PDGFRB P09619 4/20 0.51
TEK Q02763 4/20 0.51
GSK3A P49840 3/20 0.51
GSK3B P49841 3/20 0.51
FRK P42685 3/20 0.51
MAPK9 P45984 3/20 0.51
RPS6KA3 P51812 3/20 0.51
MAP4K2 Q12851 3/20 0.51
RET P07949 3/20 0.51
LYN P07948 3/20 0.51
BLK P51451 3/20 0.51

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
SCHEMBL58732 0.94 FLT3 (0.53) IKBKEKDRFLT3FLT1KIT
SCHEMBL14686157 0.93 FLT3 (0.58) IKBKEKDRFLT3FLT1KIT
SCHEMBL58646 0.91 IKBKE (0.63) IKBKEKDRFLT3FLT1KIT
SCHEMBL58142 0.91 ACVRL1 (0.57) IKBKEKDRFLT3FLT1KIT
SCHEMBL65684 0.90 FLT3 (0.51) IKBKEKDRFLT3FLT1KIT
SCHEMBL56997 0.89 FLT3 (0.51) IKBKEKDRFLT3FLT1KIT
SCHEMBL59957 0.89 FLT3 (0.51) IKBKEKDRFLT3FLT1KIT
SCHEMBL14686194 0.89 IKBKE (0.47) IKBKEKDRFLT3FLT1KIT
SCHEMBL58707 0.88 IKBKE (0.49) IKBKEKDRFLT3FLT1KIT
SCHEMBL57821 0.88 IKBKE (0.60) IKBKEKDRFLT3FLT1KIT

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-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP claimed
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP claimed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed