SCHEMBL13309405

SCHEMBL13309405

Cn1cc(-c2cnn3c(N(C(=O)OC(C)(C)C)c4ccc(-n5ccnc5)cc4)cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ IRAK1 P51617 2/20 0.39
▸ CHEK1 O14757 11/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ RET P07949 2/20 0.34

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
SCHEMBL13309406 0.88 GPR119 (0.44) PIK3CDGPR119
SCHEMBL11931565 0.86 CHEK1 (0.52) PIK3CDGPR119IRAK1CHEK1CCNA2
SCHEMBL13309257 0.84 IRAK1 (0.44) GPR119IRAK1CHEK1USP30CCNA2
SCHEMBL11931348 0.82 IRAK1 (0.45) PIK3CDGPR119IRAK1CHEK1USP30
SCHEMBL11931350 0.81 IRAK1 (0.43) GPR119IRAK1CHEK1USP30CCNA2
SCHEMBL14516698 0.80 CHEK1 (0.43) PIK3CDGPR119IRAK1CHEK1USP30
SCHEMBL11931080 0.80 IRAK1 (0.40) GPR119IRAK1CHEK1USP30CCNA2
SCHEMBL11931349 0.79 IRAK1 (0.46) PIK3CDGPR119IRAK1CHEK1USP30
SCHEMBL11931356 0.78 IRAK1 (0.48) GPR119IRAK1CHEK1USP30CCNA2
SCHEMBL14218639 0.78 IRAK1 (0.48) PIK3CDGPR119IRAK1CHEK1USP30

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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