SCHEMBL5649770

SCHEMBL5649770

Nc1cnc(-c2ccc(NC=O)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
LIMK1 P53667 3/20 0.40
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31

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
SCHEMBL12280797 0.74 RAB9A (0.77) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL393991 0.74 ALDH1A1 (0.56) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL469386 0.71 ALDH1A1 (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL21752919 0.70 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LIMK1LMNA
SCHEMBL7195937 0.69 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL22181975 0.69 RAB9A (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19463204 0.69 RAB9A (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15292158 0.69 MEN1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7272190 0.68 KDM4E (0.50) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL40296 0.68 RAB9A (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed