SCHEMBL6509589

SCHEMBL6509589

Cc1cc(C)nc(NC(N)=NCc2cccc(-c3ccccc3)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 1/20 0.63
LMNA P02545 1/20 0.50
ADORA2A P29274 3/20 0.48
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
ATP4A P20648 6/20 0.46
ATP4B P51164 6/20 0.46
TPH1 P17752 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 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
SCHEMBL6508538 0.90 RAB9A (0.74) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2801062 0.79 ADORA2A (0.73) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6514936 0.74 RAB9A (0.74) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6510332 0.74 KMT2A (0.55) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4101661 0.74 LMNA (0.54) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10388188 0.74 LMNA (0.54) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4101663 0.74 LMNA (0.54) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5923585 0.73 AOC3 (0.46) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL6507568 0.73 RAB9A (0.72) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6510261 0.73 LMNA (0.52) RAB9AMEN1KMT2ASMN1; SMN2NPC1

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