SCHEMBL5036616

SCHEMBL5036616

Nc1ncnn2c(C3CCN(C(=O)O)CC3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.52
FGFR1 P11362 2/20 0.52
FLT3 P36888 2/20 0.52
FRK P42685 2/20 0.52
MAPK9 P45984 2/20 0.52
RPS6KA3 P51812 2/20 0.52
MAP4K2 Q12851 2/20 0.52
BCR P11274 1/20 0.52
PRKCD Q05655 1/20 0.52
DDR1 Q08345 1/20 0.52
TNK1 Q13470 1/20 0.52
RPS6KA1 Q15418 1/20 0.52
MAP3K11 Q16584 1/20 0.52
DDR2 Q16832 1/20 0.52
RPS6KA6 Q9UK32 1/20 0.52
TYRO3 Q06418 9/20 0.47
ACVRL1 P37023 3/20 0.47
MERTK Q12866 5/20 0.46
AXL P30530 4/20 0.46
CSF1R P07333 2/20 0.45

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
SCHEMBL5031566 0.96 FGFR1 (0.51) RETFGFR1FLT3FRKMAPK9
SCHEMBL27768250 0.94 TYRO3 (0.46) RETFGFR1FLT3FRKMAPK9
SCHEMBL58546 0.93 RET (0.51) RETFGFR1FLT3FRKMAPK9
SCHEMBL28776688 0.93 TYRO3 (0.54) RETFGFR1FLT3FRKMAPK9
SCHEMBL57710 0.92 RET (0.52) RETFGFR1FLT3FRKMAPK9
SCHEMBL58916 0.92 RET (0.52) RETFGFR1FLT3FRKMAPK9
SCHEMBL59006 0.92 RET (0.54) RETFGFR1FLT3FRKMAPK9
SCHEMBL65796 0.92 TYRO3 (0.54) RETFGFR1FLT3FRKMAPK9
SCHEMBL59657 0.91 RET (0.52) RETFGFR1FLT3FRKMAPK9
SCHEMBL14686302 0.91 TYRO3 (0.49) RETFGFR1FLT3FRKMAPK9

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 5 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
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
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
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 disclosed
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 disclosed