SCHEMBL5031587

SCHEMBL5031587

Nc1ncnn2c(CN3CCN(C(=O)O)CC3)cc(-c3ccc(NC(=O)Nc4cccc(Br)n4)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 11/20 0.47
MERTK Q12866 3/20 0.47
AXL P30530 2/20 0.41
FAAH O00519 1/20 0.40
TYRO3 Q06418 2/20 0.39
NTRK1 P04629 2/20 0.39
KDR P35968 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
PAK4 O96013 1/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL58839 0.93 ACVRL1 (0.47) ACVRL1MERTKAXLTYRO3NTRK1
SCHEMBL60171 0.92 ACVRL1 (0.48) ACVRL1MERTKAXLTYRO3KDR
SCHEMBL90829 0.91 ACVRL1 (0.45) ACVRL1MERTKAXLFAAHTYRO3
SCHEMBL58166 0.90 ACVRL1 (0.61) ACVRL1MERTKAXLTYRO3NTRK1
SCHEMBL58723 0.90 ACVRL1 (0.61) ACVRL1MERTKAXLTYRO3FLT3
SCHEMBL59828 0.89 MERTK (0.51) ACVRL1MERTKAXLTYRO3NTRK1
SCHEMBL58315 0.89 MERTK (0.45) ACVRL1MERTKAXLTYRO3NTRK1
SCHEMBL58644 0.89 MERTK (0.47) ACVRL1MERTKAXLTYRO3LCK
SCHEMBL65877 0.86 MERTK (0.44) ACVRL1MERTKAXLTYRO3NTRK1
SCHEMBL65127 0.81 ACVRL1 (0.65) ACVRL1MERTKAXLNTRK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN claimed
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
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN 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
CN-101466710-B Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC 2013-05-29 CN disclosed
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed