SCHEMBL6598403

SCHEMBL6598403

Cn1cncc1-c1ccnc(Nc2ccc(S(=O)(=O)NCC(O)CO)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.51
▸ CDK2 P24941 17/20 0.50
▸ CDK4 P11802 7/20 0.50
▸ IKBKB O14920 2/20 0.47
▸ CDK1 P06493 3/20 0.46
▸ CCNT1 O60563 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CSNK1D P48730 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44

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
SCHEMBL6593229 0.88 IKBKB (0.61) ABL1CDK2CDK4IKBKBCDK1
SCHEMBL6104956 0.85 CDK2 (0.69) ABL1CDK2CDK4CDK1CCNT1
SCHEMBL6599115 0.84 CDK2 (0.58) CDK2CDK4IKBKBCDK1CCNT1
SCHEMBL6596998 0.83 CDK2 (0.54) CDK2CDK4IKBKBCDK1CCNT1
SCHEMBL6595912 0.82 CDK2 (0.59) CDK2CDK4IKBKBCDK1
SCHEMBL6295111 0.80 CDK2 (0.68) CDK2CDK4IKBKBCDK1
SCHEMBL27512174 0.79 CDK2 (0.49) CDK2CDK4CDK1
SCHEMBL6103355 0.79 CDK2 (0.69) CDK2CDK4IKBKBCDK1CCNT1
SCHEMBL6595888 0.78 CDK2 (0.69) CDK2CDK4CDK1CCNT1CCNB1
SCHEMBL6597963 0.76 CDK2 (0.71) CDK2CDK4CDK1CCNT1CCNB1

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 — — EP disclosed
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