SCHEMBL31319772

SCHEMBL31319772

CC(C)(C)OC(=O)n1nc(N)c2c(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)cccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.57
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 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
SCHEMBL31319814 0.89 KDR (0.48) KDRRETPDGFRBFGFR1PDGFRA
SCHEMBL17034026 0.84 KDR (0.65) KDRRETPDGFRBFGFR1PDGFRA
SCHEMBL29550321 0.84 KDR (0.65) KDRRETPDGFRBFGFR1PDGFRA
SCHEMBL31319775 0.82 KDR (0.63) KDR
SCHEMBL31319765 0.82 KDR (0.57) KDRRETPDGFRBFGFR1PDGFRA
SCHEMBL31319837 0.79 KDR (0.49) KDRRETPDGFRBFGFR1PDGFRA
SCHEMBL31319810 0.78 KDR (0.65) KDRRETPDGFRBFGFR1PDGFRA
SCHEMBL31319789 0.76 KDR (0.68) KDR
SCHEMBL421224 0.76 KDR (0.41) KDRFLT1
SCHEMBL17034040 0.75 KDR (0.67) KDRRETPDGFRBFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219561-A Naphthamide 1H-indazole derivative and preparation and application thereof 上海润石医药科技有限公司 2024-12-31 CN disclosed