SCHEMBL4741760

SCHEMBL4741760

Nc1nc2c(c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n1)-c1cc(N)c(Cl)cc1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
MMP14 P50281 1/20 0.45
JAK2 O60674 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 5/20 0.39
HPGD P15428 5/20 0.39
USP2 O75604 1/20 0.39
TYMS P04818 1/20 0.39
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL14147955 0.84 ADORA2A (0.46) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL14147958 0.84 SMN1; SMN2 (0.42) KMT2AMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL4739051 0.84 ADORA2A (0.48) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL14147954 0.83 ADORA2A (0.39) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL4741116 0.83 DHFR (0.40) TYMSADORA2AADORA1IKBKBCHUK
SCHEMBL4737498 0.82 PI4KA (0.39) KMT2AMEN1MAPTMAPK1MMP14
SCHEMBL14147959 0.80 MAPT (0.43) KMT2AMEN1MAPTMAPK1POLB
SCHEMBL14147957 0.80 ADORA2A (0.42) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL14148134 0.80 L3MBTL1 (0.45) KMT2AMEN1MAPTGAAKDM4E
SCHEMBL14147950 0.79 MEN1 (0.40) KMT2AMEN1MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed