SCHEMBL7349451

SCHEMBL7349451

O=C(Nc1cncnc1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSPA5 P11021 1/20 0.39
NAMPT P43490 3/20 0.39
GRM4 Q14833 1/20 0.38
GRM5 P41594 4/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
BRAF P15056 1/20 0.36
HDAC1 Q13547 1/20 0.36
ACKR3 P25106 1/20 0.36
MAPK7 Q13164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14516696 0.83 KCNQ3 (0.47) NPC1RAB9AHSPA5GRM4KMT2A
SCHEMBL18027794 0.80 RAB9A (0.59) NPC1RAB9ANAMPTLMNABRAF
SCHEMBL7444006 0.79 RAB9A (0.50) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL15771675 0.77 XPO1 (0.41) NPC1RAB9AHSPA5GRM4HDAC1
SCHEMBL18993439 0.77 BRAF (0.43) NPC1RAB9AHSPA5GRM4KMT2A
SCHEMBL6908256 0.76 CHRNB2 (0.49) NPC1RAB9AHSPA5NAMPTGRM4
SCHEMBL5202785 0.74
SCHEMBL7350086 0.73 MALT1 (0.45) NPC1RAB9AHSPA5LMNA
SCHEMBL7345038 0.73 HSPA5 (0.36) NPC1RAB9AHSPA5GRM4KMT2A
SCHEMBL16692700 0.73 BRAF (0.41) NPC1RAB9AGRM4KMT2ABRAF

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
US-5318975-A 5-pyrimdineamine derivatives BERLEX LABORATORIES, INC. (US) 1994-06-07 US disclosed