SCHEMBL5031566

SCHEMBL5031566

Nc1ncnn2c(C3CCN(C(=O)O)C3)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.51
FLT3 P36888 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 2/20 0.51
PRKCD Q05655 2/20 0.51
BCR P11274 1/20 0.51
DDR1 Q08345 1/20 0.51
TNK1 Q13470 1/20 0.51
RPS6KA1 Q15418 1/20 0.51
MAP3K11 Q16584 1/20 0.51
DDR2 Q16832 1/20 0.51
RPS6KA6 Q9UK32 1/20 0.51
TYRO3 Q06418 8/20 0.44
ACVRL1 P37023 4/20 0.44
AXL P30530 5/20 0.44
CSF1R P07333 3/20 0.44
FLT1 P17948 3/20 0.44

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
SCHEMBL5036616 0.96 RET (0.52) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL59657 0.94 RET (0.52) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL14686127 0.93 TYRO3 (0.52) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL58177 0.92 RET (0.51) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL60066 0.92 RET (0.52) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL5036402 0.91 BTK (0.47) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL58546 0.91 RET (0.51) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL57701 0.91 RIPK1 (0.51) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL27768250 0.89 TYRO3 (0.46) FGFR1FLT3FRKMAPK9RPS6KA3
SCHEMBL58916 0.89 RET (0.52) FGFR1FLT3FRKMAPK9RPS6KA3

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
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
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