SCHEMBL13309217

SCHEMBL13309217

CN(C)c1cccc(Nc2cc(C3CCCN(C(=O)OC(C)(C)C)C3)nc3c(Br)cnn23)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PTK2 Q05397 1/20 0.41
▸ TRPV3 Q8NET8 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ IGF1R P08069 1/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ USP30 Q70CQ3 3/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ IRAK1 P51617 1/20 0.35
▸ CHEK1 O14757 1/20 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
SCHEMBL13309134 0.85 TRPV3 (0.39) JAK2JAK3PTK2TRPV3FPR2
SCHEMBL14519195 0.84 TRPV3 (0.37) JAK2JAK3PTK2TRPV3FPR2
SCHEMBL13309478 0.81 GPR119 (0.44) JAK2JAK3PTK2TRPV3FPR2
SCHEMBL11931591 0.79 CHEK1 (0.46) JAK2JAK3TRPV3FPR2GSK3B
SCHEMBL14561895 0.79 ALDH1A1 (0.40) JAK2TRPV3FPR2GSK3BCDK2
SCHEMBL14541613 0.79 TRPV3 (0.43) JAK2TRPV3FPR2HPGDSCDK2
SCHEMBL14942244 0.78 CHEK1 (0.53) JAK2TRPV3FPR2HPGDSCDK2
SCHEMBL11931323 0.78 TRPV3 (0.43) JAK2TRPV3FPR2HPGDSCDK2
SCHEMBL14541358 0.78 CHEK1 (0.57) GSK3BCDK2CHEK1
SCHEMBL11931324 0.77 TRPV3 (0.42) JAK2TRPV3FPR2HPGDSCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934224-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2010-06-09 — — EP disclosed
US-7205308-B2 Trisubstituted 7-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
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