SCHEMBL29793192

SCHEMBL29793192

O=C(Nc1ccc(Oc2ccnc(C(=O)O)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.83
KDR P35968 7/20 0.81
RET P07949 3/20 0.80
BRAF P15056 3/20 0.80
FLT1 P17948 3/20 0.80
GSK3B P49841 2/20 0.80
RIPK2 O43353 2/20 0.80
ABCB11 O95342 2/20 0.80
ABL1 P00519 2/20 0.80
HTR1A P08908 2/20 0.80
PDGFRB P09619 2/20 0.80
ADORA3 P0DMS8 2/20 0.80
KIT P10721 2/20 0.80
FGFR1 P11362 2/20 0.80
PDGFRA P16234 2/20 0.80
MAOA P21397 2/20 0.80
EPHA1 P21709 2/20 0.80
TBXA2R P21731 2/20 0.80
EPHA2 P29317 2/20 0.80
TTK P33981 2/20 0.80

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
SCHEMBL3408499 1.00 RAF1 (0.83) RAF1KDRRETBRAFFLT1
Formamide SCHEMBL28340615 0.95 RAF1 (0.79) RAF1KDRRETBRAFFLT1
SCHEMBL3411566 0.92 RET (0.81) RAF1KDRRETBRAFFLT1
SCHEMBL10000735 0.92 RAF1 (0.83) RAF1KDRRETBRAFFLT1
SCHEMBL28948534 0.92 RAF1 (0.83) RAF1KDRRETBRAFFLT1
SCHEMBL29918250 0.91 RAF1 (1.00) RAF1KDRRETBRAFFLT1
SCHEMBL548133 0.91 RAF1 (1.00) RAF1KDRRETBRAFFLT1
SCHEMBL4609009 0.90 BRAF (0.82) RAF1KDRRETBRAFFLT1
SCHEMBL3407209 0.90 RAF1 (0.80) RAF1KDRRETBRAFFLT1
SCHEMBL4737847 0.90 KDR (1.00) RAF1KDRRETBRAFFLT1

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
CN-115068620-A Pharmaceutical composition capable of reducing generation of arylamine impurities 天津睿创康泰生物技术有限公司 2022-09-20 CN claimed
CN-119792559-A Cell-penetrating peptide modified enzyme-sensitive PDC PROTAC, and preparation method and application thereof 西安交通大学 2025-04-11 CN disclosed
CN-114767714-B Nanometer preparation of alkynyl-modified sorafenib derivative and silver wrapped by pore material, preparation method and application thereof 济南大学 2023-06-20 CN disclosed
CN-115068620-A Pharmaceutical composition capable of reducing generation of arylamine impurities 天津睿创康泰生物技术有限公司 2022-09-20 CN disclosed
CN-114767714-A Nanometer preparation of pore material wrapped alkynyl-modified sorafenib derivative and silver, preparation method and application thereof 济南大学 2022-07-22 CN disclosed