SCHEMBL9952087

SCHEMBL9952087

COc1c(CCO)cc(Cl)c(C)c1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.38
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
SLC2A1 P11166 1/20 0.34
CA2 P00918 5/20 0.33
CA4 P22748 5/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX5 P09917 1/20 0.32
CA1 P00915 3/20 0.31
CA6 P23280 3/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL14742274 0.85 IMPDH2 (0.36) IMPDH2SLC2A1CA2CA4CA1
SCHEMBL14742253 0.84 CYP1A2 (0.37) KMT2ACYP2D6CYP1A2CYP2C9KDM4E
SCHEMBL9952029 0.84 TAAR1 (0.46) IMPDH2CYP1A2
SCHEMBL9951996 0.83 MEP1B (0.36) KMT2ACYP2D6CYP1A2CYP2C9SLC2A1
Hydrochloric Acid SCHEMBL9952054 0.83 TAAR1 (0.45) IMPDH2CYP1A2
SCHEMBL9953183 0.81 TAAR1 (0.37) IMPDH2CYP1A2SLC2A1CA2CA4
SCHEMBL20241159 0.81 IMPDH2 (0.38) IMPDH2KMT2ACYP2D6CYP1A2CYP2C9
SCHEMBL9952473 0.80 IMPDH2 (0.41) IMPDH2KMT2ACYP2D6CYP1A2CYP2C9
SCHEMBL9952278 0.79 ALDH1A1 (0.38) IMPDH2KMT2ASLC2A1CA2KDM4E
SCHEMBL9953040 0.78 IMPDH2 (0.45) IMPDH2KDM4EALDH1A1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961410-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K RELATED DISORDERS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
WO-2014134426-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3Kδ RELATED DISORDERS INCYTE CORPORATION (US) 2014-09-04 WO disclosed
EP-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed