SCHEMBL1745790

SCHEMBL1745790

O=C(O)N1CCN(c2nc(Cl)nc3ccsc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.45
PIK3R1 P27986 2/20 0.45
KIT P10721 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL2801448 0.83 HRH4 (0.53) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL1284016 0.83 GBA1 (0.52) KITALDH1A1POLBMAPTHTT
SCHEMBL31241514 0.82 PIK3R1 (0.46) PIK3CAPIK3R1KDM4EPOLBHPGD
SCHEMBL20589783 0.82 PDE4A (0.57) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL31259505 0.78 HTR2C (0.61) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL31259506 0.78 HTR2C (0.61) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL189594 0.78 PIK3CA (0.72) PIK3CAPIK3R1KDM4EPDE4APDE4B
SCHEMBL14674470 0.77 PRKCI (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL31241515 0.76 KDM4E (0.46) PIK3CAKDM4EPDE4APDE4BPDE4C
SCHEMBL19995316 0.75 ABL1 (0.43) MAPTHTR1ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385832-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY Curis, Inc. (US) 2011-11-16 EP disclosed
US-8040979-B2 Generating a phase value for a complex signal INFINEON TECHNOLOGIES AG (DE) 2011-10-18 US disclosed
WO-2010080996-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. (US) 2010-07-15 WO disclosed