SCHEMBL28114068

SCHEMBL28114068

CCOc1ccc(Cl)c(C#N)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PDE3A Q14432 1/20 0.39
KDM4E B2RXH2 5/20 0.37
MAPK1 P28482 3/20 0.37
TRPV4 Q9HBA0 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
EPAS1 Q99814 1/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RORC P51449 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
ALOX15 P16050 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
POLB P06746 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL4406805 0.80 TRPV4 (0.37) HPGDSMN1; SMN2KDM4EMAPK1TRPV4
SCHEMBL21886863 0.80 PDE3A (0.44) HPGDSMN1; SMN2PDE3AKDM4EMAPK1
SCHEMBL28048048 0.78 KDM4E (0.43) HPGDSMN1; SMN2PDE3AKDM4EMAPK1
SCHEMBL8519351 0.78 SRC (0.39) HPGDSMN1; SMN2KDM4EMAPK1TRPV4
SCHEMBL686987 0.76 MRGPRX4 (0.51) KDM4EL3MBTL1RAB9AALDH1A1GAA
SCHEMBL9929711 0.76 MEN1 (0.42) HPGDSMN1; SMN2PDE3AKDM4EMAPK1
SCHEMBL8699691 0.69 HSD11B1 (0.43) KDM4EMAPK1LMNATSHRMAPT
SCHEMBL23087507 0.69 PDE3A (0.43) HPGDSMN1; SMN2PDE3AKDM4ETRPV4
SCHEMBL435768 0.69 TRPV4 (0.56) TRPV4MAPTL3MBTL1RORCRAB9A
SCHEMBL28922153 0.68 KDM4E (0.34) HPGDSMN1; SMN2PDE3AKDM4EMAPK1

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
CN-106986867-B Heterocycle amine as PI3K inhibitor 因塞特控股公司 2019-06-28 CN disclosed
CN-109010343-A The purposes of Pyrazolopyrimidine derivative treatment PI3K δ associated disease 因赛特公司 2018-12-18 CN disclosed
CN-104024253-B Heterocyclic amines as PI3K inhibitors INCYTE HOLDINGS CORP. (US) 2016-11-30 CN disclosed