SCHEMBL13288754

SCHEMBL13288754

Bc1cnn2c(NCCNC(=O)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.45
▸ HIF1A Q16665 1/20 0.43
▸ GSK3B P49841 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SLC16A3 O15427 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ CCNE1 P24864 1/20 0.37

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
SCHEMBL13288811 0.95 CDK2 (0.44) CDK2HIF1AGSK3BSMN1; SMN2DRD2
SCHEMBL13120304 0.89 CDK2 (0.58) CDK2HIF1AGSK3BCCNE1
SCHEMBL14545970 0.89 GSK3B (0.45) CDK2GSK3BDRD2DRD4DRD3
SCHEMBL13288895 0.89 GSK3B (0.43) CDK2GSK3BSMN1; SMN2MEN1LMNA
SCHEMBL13288768 0.89 CDK2 (0.54) CDK2GSK3BSMN1; SMN2MEN1KMT2A
SCHEMBL13289235 0.88 CDK2 (0.45) CDK2GSK3BDRD2DRD4DRD3
SCHEMBL14545832 0.87 CDK2 (0.48) CDK2GSK3BSMN1; SMN2LMNANPC1
SCHEMBL14545261 0.87 CDK2 (0.53) CDK2GSK3BSMN1; SMN2MEN1LMNA
SCHEMBL13288902 0.86 CDK2 (0.41) CDK2GSK3BNAMPT
SCHEMBL13288868 0.86 CDK2 (0.52) CDK2GSK3BNAMPT

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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