SCHEMBL5650768

SCHEMBL5650768

Nc1cnc(NC(=O)C2CCCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA1 P30542 3/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
GFER P55789 1/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5651294 0.98 HDAC3 (0.50) SMN1; SMN2HDAC3HDAC1HDAC2LMNA
SCHEMBL11002950 0.80 HDAC3 (0.49) SMN1; SMN2HDAC3HDAC1HDAC2LMNA
SCHEMBL31241104 0.79 ADORA1 (0.47) SMN1; SMN2LMNANPSR1ADORA1ADORA3
SCHEMBL3056248 0.79 NPC1 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2PTPN1
SCHEMBL5653762 0.78 NAMPT (0.51) SMN1; SMN2ADORA1ADORA3ADORA2APTPN1
SCHEMBL5654440 0.76 NAMPT (0.50) SMN1; SMN2ADORA1PTPN1PTPN2MEN1
SCHEMBL31240994 0.75 ABL1 (0.51) SMN1; SMN2LMNAADORA1ADORA3ADORA2A
SCHEMBL15743965 0.75 SMN1; SMN2 (0.49) SMN1; SMN2LMNANPSR1ADORA1ADORA3
SCHEMBL29874618 0.72 NPC1 (0.54) SMN1; SMN2RAB9AKMT2ATSHRHPGD
SCHEMBL28847350 0.72 NPC1 (0.54) SMN1; SMN2RAB9AKMT2ATSHRHPGD

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