SCHEMBL21289801

SCHEMBL21289801

Cc1ccc2c(n1)oc1c(-c3ccc(-c4ccccc4-c4cc(CCc5cnc6c(c5)c(=O)oc5nc(C)ccc56)cc(CCc5cnc6c(c5)c(=O)oc5nc(C)ccc56)c4)cn3)cccc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.30

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
SCHEMBL21290220 0.85 PDCD1 (0.35)
SCHEMBL21289799 0.83 KDM4E (0.34) TGFBR1
SCHEMBL24291650 0.82
SCHEMBL25100533 0.82
SCHEMBL21290205 0.80 LDHA (0.31)
SCHEMBL21125469 0.80 ENPP3 (0.35) TGFBR1
SCHEMBL21125944 0.79 HSD17B1 (0.36) TGFBR1
SCHEMBL18015374 0.78 ADORA1 (0.36) TGFBR1
SCHEMBL22059833 0.77 TGFBR1 (0.35) TGFBR1
SCHEMBL19933714 0.77 TGFBR1 (0.33) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
WO-2019158453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-22 WO disclosed