SCHEMBL3408514

SCHEMBL3408514

O=C(Nc1ccccn1)c1cncnc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.72
NPC1 O15118 6/20 0.72
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
GRM5 P41594 4/20 0.58
PKM P14618 2/20 0.58
F2 P00734 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL31414959 0.85 RAB9A (0.70) RAB9ANPC1MEN1KMT2APKM
SCHEMBL6646471 0.85 RAB9A (0.70) RAB9ANPC1MEN1KMT2APKM
SCHEMBL18979481 0.84 RAB9A (0.52) RAB9ANPC1MEN1KMT2AGRM5
SCHEMBL31672285 0.84 RAB9A (0.52) RAB9ANPC1MEN1KMT2AGRM5
SCHEMBL29155609 0.83 RAB9A (0.83) RAB9ANPC1MEN1KMT2APKM
SCHEMBL29366822 0.82 RAB9A (0.89) RAB9ANPC1MEN1KMT2APKM
SCHEMBL997866 0.82 RAB9A (0.89) RAB9ANPC1MEN1KMT2APKM
SCHEMBL7189774 0.81 RAB9A (0.86) RAB9ANPC1MEN1KMT2APKM
Hydrochloric Acid SCHEMBL27681799 0.81 RAB9A (0.86) RAB9ANPC1MEN1KMT2APKM
SCHEMBL4636673 0.81 RAB9A (0.72) RAB9ANPC1MEN1KMT2APKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257539-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009117269-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK & CO., INC. (US) 2009-09-24 WO disclosed