SCHEMBL6508538

SCHEMBL6508538

Cc1cc(C)nc(NC(N)=NCc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
NPC1 O15118 1/20 0.74
ADORA2A P29274 3/20 0.53
MAPT P10636 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
LMNA P02545 1/20 0.52
ATP4A P20648 8/20 0.49
ATP4B P51164 8/20 0.49
SIGMAR1 Q99720 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
GRIN2B Q13224 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6509589 0.90 RAB9A (0.63) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6510332 0.84 KMT2A (0.55) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6510261 0.83 LMNA (0.52) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6514936 0.82 RAB9A (0.74) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6507568 0.81 RAB9A (0.72) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6507985 0.79 NPC1 (0.47) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2801062 0.78 ADORA2A (0.73) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6513286 0.74 MAPK1 (0.62) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6507406 0.74 RAB9A (0.52) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4101661 0.73 LMNA (0.54) 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