SCHEMBL14644664

SCHEMBL14644664

C[C@@]1(O)C[C@@H](CO)O[C@H]1n1ccc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ PRMT5 O14744 5/20 0.38
▸ WDR77 Q9BQA1 5/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ BTK Q06187 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL14644369 0.92 ADK (0.41) ADKABL1RIN1PRMT5WDR77
SCHEMBL31154632 0.83 ADORA3 (0.56) ADKPRMT5WDR77ADORA3ADORA2A
SCHEMBL15960600 0.83 ADORA3 (0.56) ADKPRMT5WDR77ADORA3ADORA2A
SCHEMBL14644657 0.81 ADK (0.47) ADKABL1RIN1PRMT5WDR77
SCHEMBL15960616 0.80 ADK (0.44) ADKPRMT5WDR77ADORA3CSF1R
SCHEMBL31170878 0.79 ADK (0.46) ADKADORA3ADORA2A
SCHEMBL14643921 0.79 PRMT5 (0.38) ADKPRMT5WDR77ADORA3RET
SCHEMBL15960613 0.78 ADK (0.43) ADKABL1RIN1ADORA3CSF1R
SCHEMBL18490461 0.78 ADK (0.48) ADKADORA3ADORA2A
SCHEMBL18490545 0.78 ADK (0.48) ADKADORA3ADORA2A

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
WO-2013009735-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-01-17 — — WO disclosed
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