SCHEMBL25100522

SCHEMBL25100522

C=C/N=C/c1ccc(CCc2cc(CCc3ccc(-c4nccn4-c4ccccc4)cc3)cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)c(C)cn4)cc3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.32

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
SCHEMBL21290398 0.81 BRS3 (0.34) KDR
SCHEMBL23956276 0.80 KDR (0.41) KDR
SCHEMBL25100495 0.79 BRS3 (0.36) KDR
SCHEMBL25100521 0.77
SCHEMBL23956227 0.71 KDR (0.37) KDR
SCHEMBL23956282 0.69 KDR (0.40) KDR
SCHEMBL25100498 0.69 CYP1A2 (0.44) KDR
SCHEMBL21289765 0.69 PDK1 (0.40)
SCHEMBL25100886 0.68 MC4R (0.38)
SCHEMBL21289815 0.67 HTR2C (0.34)

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
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed