SCHEMBL13993126

SCHEMBL13993126

Nc1cc(-c2ccoc2)nc2c(Br)cnn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.67
▸ CHEK1 O14757 4/20 0.67
▸ CCNA2 P20248 3/20 0.67
▸ CCNA1 P78396 3/20 0.67
▸ CSNK2A1 P68400 4/20 0.43
▸ CCNE1 P24864 2/20 0.38
▸ PPARA Q07869 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ KDM5B Q9UGL1 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
SCHEMBL14043298 0.84 CDK2 (0.46) CDK2CHEK1CCNA2CCNA1PPARA
SCHEMBL12953407 0.84 CDK2 (0.46) CDK2CHEK1CCNA2CCNA1CCNE1
SCHEMBL4177549 0.80 CDK2 (1.00) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL11930889 0.79 CDK2 (0.76) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL13993120 0.78 CDK2 (0.74) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL13998533 0.77 GSK3B (0.51) CDK2CHEK1CCNA2CCNA1CCNE1
SCHEMBL13993127 0.76 CHEK1 (0.63) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL12953347 0.75 CDK2 (0.73) CDK2CHEK1CCNA2CCNA1CSNK2A1
SCHEMBL5460449 0.74 CHEK1 (0.42) CDK2CHEK1CCNA2CCNA1CCNE1
SCHEMBL7833604 0.74 CDK2 (0.47) CDK2CHEK1CCNA2CCNA1CCNE1

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
US-7468372-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-23 — — US disclosed
US-7468372-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-23 — — US disclosed
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