SCHEMBL17865970

SCHEMBL17865970

CN([C@H]1C[C@@H](n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.49
▸ CDK2 P24941 4/20 0.49
▸ CDK5 Q00535 4/20 0.49
▸ CDK5R1 Q15078 4/20 0.49
▸ CCNT1 O60563 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ CCNH P51946 1/20 0.49
▸ MNAT1 P51948 1/20 0.49
▸ ADORA3 P0DMS8 5/20 0.49
▸ ADORA2A P29274 5/20 0.49
▸ ADORA1 P30542 4/20 0.49
▸ SLC29A1 Q99808 3/20 0.46

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
SCHEMBL17865958 0.87 TP53 (0.45) —
SCHEMBL10005049 0.84 ADORA3 (0.52) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL18872506 0.84 ADORA3 (0.52) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL17865968 0.84 ADORA3 (0.49) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL10005047 0.82 ADORA3 (0.52) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL192286 0.81 NAE1 (0.54) ADORA3ADORA2AADORA1
SCHEMBL17865921 0.79 METTL3 (0.54) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL17865956 0.79 NAE1 (0.43) —
SCHEMBL17865976 0.78 CCNA2 (0.44) CCNA2CDK2CDK5CDK5R1ADORA3
SCHEMBL17865979 0.76 METTL3 (0.40) CCNA2CDK2CDK5CDK5R1CCNT1

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-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 — — EP claimed
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