SCHEMBL2848140

SCHEMBL2848140

Cc1nc2c(s1)-c1nc(NC(=O)O)ncc1CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.67
CDK2 P24941 16/20 0.67
CDK9 P50750 16/20 0.67
CDK1 P06493 15/20 0.67
CCNB1 P14635 15/20 0.67
CCNE1 P24864 15/20 0.67
CDK7 P50613 14/20 0.67
CCNH P51946 14/20 0.67
CDK4 P11802 12/20 0.67
CCND1 P24385 12/20 0.67
CCNA2 P20248 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 3/20 0.42
PIK3CG P48736 3/20 0.42
PI4KB Q9UBF8 2/20 0.41

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
SCHEMBL1531614 0.88 CCNT1 (0.69) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL11295188 0.84 CDK2 (0.69) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1531501 0.81 CCNT1 (0.54) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL13373291 0.81 CDK2 (0.65) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1531503 0.80 CDK2 (1.00) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL11942171 0.80 CDK2 (0.49) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL11300417 0.79 CDK2 (0.75) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1531479 0.78 CDK2 (1.00) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1532123 0.78 CDK2 (0.71) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1531483 0.78 CDK2 (0.57) CCNT1CDK2CDK9CDK1CCNB1

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-1641805-B1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES CYCLACEL LTD (GB) 2010-01-13 EP claimed