SCHEMBL6510332

SCHEMBL6510332

Cc1cc(C)nc(NC(N)=NCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
ATP4A P20648 10/20 0.49
ATP4B P51164 10/20 0.49
MAPT P10636 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PHGDH O43175 1/20 0.45
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
GRIN2B Q13224 1/20 0.42
SCN2A Q99250 1/20 0.41

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 0.84 RAB9A (0.74) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6507381 0.82 RAB9A (0.54) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6515410 0.76 ADORA2A (0.56) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL5923152 0.74 PHGDH (0.46) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6509589 0.74 RAB9A (0.63) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6510261 0.72 LMNA (0.52) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6515320 0.71 SIGMAR1 (0.46) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL5923420 0.70 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6507985 0.69 NPC1 (0.47) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL6506989 0.68 CRHBP (0.70) KMT2ASMN1; SMN2MEN1RAB9ANPC1

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