SCHEMBL13728200

SCHEMBL13728200

NC(=O)c1ccnc(Cc2cccc3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PARP10 Q53GL7 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ADA P00813 2/20 0.45
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ ADRA2B P18089 2/20 0.43
▸ ADRA2C P18825 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 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
SCHEMBL13728292 0.82 HTR2C (0.43) AURKARPS6KB1LMNAHTR6
SCHEMBL13726844 0.78 TDP1 (0.46) MEN1KMT2APARP10AURKARPS6KB1
SCHEMBL13726969 0.78 MAOB (0.46) AURKARPS6KB1AURKB
SCHEMBL13728466 0.77 ADRA2A (0.60) ALDH1A1HTTTDP1ADRA2AADRA2B
SCHEMBL13728773 0.76 P2RX3 (0.45) —
SCHEMBL13726397 0.76 KCNA5 (0.43) KMT2ALMNACYP1A2
SCHEMBL13729128 0.75 CHEK2 (0.45) TAAR1CYP2D6CYP1A2
SCHEMBL13728854 0.71 NR3C2 (0.51) AURKARPS6KB1HTR6
SCHEMBL3817879 0.71 MEN1 (0.61) MEN1KMT2APARP10ALDH1A1HTT
SCHEMBL31389281 0.71 MEN1 (0.61) MEN1KMT2APARP10ALDH1A1HTT

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-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 — — WO disclosed
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