SCHEMBL5651536

SCHEMBL5651536

CCCCC(=O)Nc1ncc(N)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 2/20 0.50
MAPK10 P53779 1/20 0.50
ADORA1 P30542 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
DEGS1 O15121 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
XDH P47989 1/20 0.43
MAPKAPK2 P49137 1/20 0.43

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
SCHEMBL31241118 0.83 RAB9A (0.66) SMN1; SMN2RAB9AMAPK10ADORA1MEN1
SCHEMBL10996517 0.81 ADORA1 (0.47) SMN1; SMN2RAB9AMAPK10ADORA1MEN1
SCHEMBL12411456 0.80 L3MBTL1 (0.52) SMN1; SMN2RAB9AMAPK10ADORA1KMT2A
SCHEMBL1993637 0.80 DEGS1 (0.64) SMN1; SMN2RAB9AMAPK10ADORA1MEN1
SCHEMBL27427372 0.79 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AMAPK10ADORA1MEN1
SCHEMBL31241073 0.79 RAB9A (0.65) SMN1; SMN2RAB9AMAPK10ADORA1KMT2A
SCHEMBL5651367 0.78 LMNA (0.58) SMN1; SMN2RAB9AMAPK10ADORA1MEN1
SCHEMBL1994251 0.76 CNR1 (0.51) SMN1; SMN2RAB9AKMT2ALMNAL3MBTL1
SCHEMBL22610228 0.76 LMNA (0.58) SMN1; SMN2RAB9AADORA1KMT2ALMNA
SCHEMBL7237360 0.76 ADORA1 (0.54) SMN1; SMN2RAB9AMAPK10ADORA1MEN1

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