SCHEMBL215765

SCHEMBL215765

Cc1ccccc1-n1cnc(C(N)=O)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
HCAR1 Q9BXC0 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
EPHB4 P54760 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PKM P14618 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KAT2B Q92831 1/20 0.38
GRM1 Q13255 1/20 0.38

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
SCHEMBL214569 0.82 ALDH1A1 (0.47) HCAR1MEN1KMT2ALMNAALDH1A1
SCHEMBL13481029 0.78 FGFR1 (0.50) HCAR1MEN1KMT2ALMNAALDH1A1
SCHEMBL18268477 0.76 LMNA (0.50) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL28141593 0.75 PI4KA (0.50) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL213390 0.74 POLB (0.45) ALDH1A1TSHRKDM4EADORA2AKAT2B
SCHEMBL29829372 0.72 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL9714613 0.72 CYP11B1 (0.50) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL22732231 0.71 HSP90AA1 (0.44) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL27954108 0.71 MAPT (0.41) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL18268462 0.71 TP53 (0.51) PI4KAPI4K2BPI4K2API4KBMEN1

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed