SCHEMBL28855820

SCHEMBL28855820

OCc1cc(-c2ccn(O)n2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
SREBF2 Q12772 5/20 0.33
JMJD6 Q6NYC1 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
FYN P06241 3/20 0.31
ACVR1 Q04771 1/20 0.31
SREBF1 P36956 1/20 0.31
NUDT1 P36639 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
SRC P12931 1/20 0.30
CDK2 P24941 1/20 0.30
ZAP70 P43403 1/20 0.30

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
SCHEMBL28197944 0.75 PIK3CA (0.38) JAK2S1PR1FYN
SCHEMBL19996104 0.71 KDM4E (0.45) CSNK1DCSNK1E
SCHEMBL19996096 0.70 PRKCI (0.53) CSNK1DCSNK1EJAK2TYK2S1PR1
SCHEMBL30504670 0.70 PRKCI (0.53) CSNK1DCSNK1EJAK2TYK2S1PR1
SCHEMBL3711754 0.68 PLAU (0.47) CSNK1DCSNK1ES1PR1S1PR3SREBF2
SCHEMBL29935002 0.68 PLAU (0.47) CSNK1DCSNK1ES1PR1S1PR3SREBF2
SCHEMBL28198655 0.68 CYP11B2 (0.41) S1PR1FYN
SCHEMBL13239038 0.66 CSNK1D (0.59) CSNK1DCSNK1ES1PR1S1PR3SREBF2
SCHEMBL14291396 0.66 SREBF2 (0.47) CSNK1DCSNK1ES1PR1S1PR3SREBF2
SCHEMBL211823 0.66 CSNK1D (0.40) CSNK1DCSNK1EJAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107667106-A 2 (base of Pyrazolopyridine 3) pyrimidine derivatives as JAK inhibitor 阿尔米雷尔有限公司 2018-02-06 CN disclosed