SCHEMBL6942599

SCHEMBL6942599

Cc1cn(CCC[C@@H](O)n2cnc(C(N)=O)c2)c2cc(NC(=O)CCc3nc4ccccc4n3C)ccc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.63
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
NTRK1 P04629 2/20 0.39
NTRK2 Q16620 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PIN1 Q13526 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6942023 0.89 ADA (0.80) ADA
SCHEMBL6935456 0.89 ADA (0.80) ADAADRB1ADRB3
SCHEMBL6942036 0.88 ADA (0.59) ADAADRB1ADRB3NTRK1NTRK2
SCHEMBL6942763 0.86 ADA (0.57) ADA
SCHEMBL6941531 0.84 ADA (0.66) ADAADRB1ADRB3NTRK1NTRK2
SCHEMBL6940656 0.78 ADA (0.81) ADAADRB1ADRB3
SCHEMBL6936185 0.78 ADA (0.46) ADAMEN1KMT2A
SCHEMBL6940662 0.78 ADA (0.71) ADAADRB1ADRB3
SCHEMBL6935452 0.78 ADA (1.00) ADA
SCHEMBL6938246 0.77 ADA (0.73) ADAADRB1ADRB3

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
US-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed