SCHEMBL6513286

SCHEMBL6513286

Cc1cc(C)nc(NC(N)=Nc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 3/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
F10 P00742 4/20 0.44
ADORA2A P29274 1/20 0.43
SMPD1 P17405 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
NPC1 O15118 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL6509745 0.85 MAPK1 (0.53) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL6510506 0.81 MAPK1 (0.56) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL6510602 0.80 MAPK1 (0.63) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL6510249 0.80 MAPK1 (0.62) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL6508660 0.80 MAPK1 (0.52) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL5923256 0.79 MAPK1 (0.56) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL10498921 0.77 LMNA (0.61) MEN1KMT2ARAB9ALMNAPOLB
SCHEMBL10498925 0.77 LMNA (0.61) MEN1KMT2ARAB9ALMNAPOLB
SCHEMBL6510588 0.77 LMNA (0.50) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL4981988 0.77 MAPK1 (0.69) MAPK1MEN1KMT2ARAB9ALMNA

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