SCHEMBL3431271

SCHEMBL3431271

O=C(COc1ccncn1)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL14231089 0.95 RAB9A (0.47) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL29150562 0.74 HPGD (0.59) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL28018180 0.74 ALDH1A1 (0.46) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL13313010 0.73 SMN1; SMN2 (0.57) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL5163554 0.73 P2RX7 (0.47) POLBKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3431267 0.72 ALDH1A1 (0.41) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL3164153 0.72 RAB9A (0.50) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL19128428 0.72 ALDH1A1 (0.63) HPGDRAB9APOLBMAPTKMT2A
SCHEMBL5163142 0.72 P2RX7 (0.49) HPGDSMN1; SMN2GAANPC1
SCHEMBL25147377 0.71 BCHE (0.62) HPGDRAB9AKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252616-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-11-24 EP disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 WO disclosed