SCHEMBL248097

SCHEMBL248097

Cc1cc2cc(CCN)c(-c3ccccn3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
IKBKB O14920 2/20 0.38
CHUK O15111 1/20 0.38
HRH1 P35367 1/20 0.36
TGFBR1 P36897 5/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 1/20 0.34
PDE10A Q9Y233 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL246127 0.80 HSD17B10 (0.45) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL248609 0.80 ADORA1 (0.40) NPC1KDM4EIKBKBCHUKHRH1
SCHEMBL248096 0.76 KDM4E (0.42) NPC1KDM4EIKBKBTGFBR1MAPT
SCHEMBL19331509 0.72 NPC1 (0.40) NPC1KDM4EHRH1TGFBR1RAB9A
SCHEMBL16585320 0.71 PIK3CD (0.47) NPC1KDM4EHRH1MAPTTAAR1
SCHEMBL15320225 0.71 PIK3CD (0.43) NPC1KDM4EHRH1MAPTRAB9A
Hydrochloric Acid SCHEMBL17241313 0.70 PIK3CD (0.43) NPC1KDM4EHRH1MAPTRAB9A
SCHEMBL27928181 0.69 HRH1 (0.48) NPC1KDM4EHRH1RAB9ATAAR1
SCHEMBL4434943 0.68 NPC1 (0.41) NPC1KDM4ETGFBR1MAPTTAAR1
SCHEMBL7044148 0.64 HRH1 (0.50) NPC1KDM4EHRH1RAB9ATAAR1

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-2588468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003262-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed