SCHEMBL3715324

SCHEMBL3715324

CN1CCN(CCNC(=O)Nc2nc3ccc(-c4cccc(S(C)(=O)=O)c4)cc3s2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.66
GHSR Q92847 3/20 0.50
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACP1 P24666 1/20 0.48
LIMK1 P53667 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL13188703 0.85 KDM4E (0.51) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3705975 0.85 ABL1 (0.59) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13188986 0.84 ABL1 (0.52) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13188732 0.83 ABL1 (0.51) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3807818 0.83 ABL1 (0.53) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13188316 0.83 LCK (0.61) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13188673 0.82 KDM4E (0.49) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13188676 0.82 ABL1 (0.52) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13188280 0.82 ABL1 (0.55) ABL1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13188535 0.81 ABL1 (0.47) ABL1KDM4ENPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 WO disclosed
WO-2009133127-A1 FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS MERCK SERONO S.A. (CH) 2009-11-05 WO disclosed