SCHEMBL6509745

SCHEMBL6509745

Cc1cc(C)nc(NC(N)=Nc2cccc(OCc3ccc(F)c(F)c3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADORA2A P29274 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
SIRT2 Q8IXJ6 4/20 0.41
ALOX5 P09917 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
F2 P00734 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
SCHEMBL6513286 0.85 MAPK1 (0.62) MAPK1MEN1RAB9AKMT2ALMNA
SCHEMBL5923121 0.80 MAPK1 (0.48) MAPK1F9F10SIRT2ALOX5
SCHEMBL6510506 0.74 MAPK1 (0.56) MAPK1MEN1RAB9AKMT2ALMNA
SCHEMBL6510602 0.73 MAPK1 (0.63) MAPK1MEN1RAB9AKMT2ALMNA
SCHEMBL14861786 0.73 SIGMAR1 (0.65) MEN1RAB9AKMT2ALMNAADORA2A
SCHEMBL6508660 0.73 MAPK1 (0.52) MAPK1MEN1RAB9AKMT2ALMNA
SCHEMBL6510249 0.73 MAPK1 (0.62) MAPK1MEN1RAB9AKMT2ALMNA
SCHEMBL4109150 0.72 SIGMAR1 (0.61) MAPK1RAB9AKMT2ALMNAADORA2A
SCHEMBL6510588 0.72 LMNA (0.50) MAPK1MEN1RAB9AKMT2ALMNA
SCHEMBL10498921 0.71 LMNA (0.61) MEN1RAB9AKMT2ALMNAPOLB

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-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed