SCHEMBL28900682

SCHEMBL28900682

CCCC=C(Oc1nc(Nc2ccc(N3CCOCC3)cc2)c2ncn(C3CCCCC3)c2n1)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCTR P47872 9/20 0.67
SMO Q99835 1/20 0.67
FLT3 P36888 10/20 0.49
PDGFRA P16234 1/20 0.43

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
Naphthalene SCHEMBL28900683 0.82 SCTR (0.66) SCTRSMOFLT3PDGFRA
Purmorphamine SCHEMBL1548273 0.81 SCTR (1.00) SCTRSMOFLT3PDGFRA
Purmorphamine SCHEMBL29358352 0.81 SCTR (1.00) SCTRSMOFLT3PDGFRA
SCHEMBL14075696 0.80 SCTR (0.98) SCTRSMOFLT3PDGFRA
SCHEMBL14075697 0.78 SCTR (0.95) SCTRSMOFLT3PDGFRA
SCHEMBL14075691 0.77 SCTR (0.74) SCTRSMOFLT3PDGFRA
SCHEMBL14707305 0.75 SCTR (0.76) SCTRSMOFLT3PDGFRA
SCHEMBL16367807 0.75 SCTR (0.89) SCTRSMOFLT3PDGFRA
SCHEMBL14075684 0.74 SCTR (0.71) SCTRSMOFLT3PDGFRA
SCHEMBL14075693 0.72 FLT3 (0.67) SCTRSMOFLT3PDGFRA

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-111788303-A Cell aggregate, mixture of cell aggregates, and method for producing same 大日本住友制药株式会社 2020-10-16 CN disclosed