SCHEMBL13127013

SCHEMBL13127013

Oc1ccc(Nc2nc(NC3CCC(O)CC3)cc(-c3ccccc3)n2)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK6 Q00534 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
PIK3CA P42336 1/20 0.43
VCP P55072 2/20 0.42
ADORA1 P30542 4/20 0.41
ADORA2A P29274 3/20 0.41
FLT3 P36888 2/20 0.39
TYRO3 Q06418 2/20 0.39
MERTK Q12866 2/20 0.39
GAS6 Q14393 2/20 0.39
CDC7 O00311 2/20 0.37
ITK Q08881 2/20 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
SCHEMBL3450577 0.79 TUBB4A (0.47) SYKCDK1CDK4CCNB1CCND1
SCHEMBL3450774 0.73 MEN1 (0.50) SYKCDK1CDK2CDK5PIK3CA
SCHEMBL14302762 0.71 RAB9A (0.53)
SCHEMBL3450235 0.71 BCL6 (0.46) SYKADORA1ADORA2AITKKDM4E
SCHEMBL3452140 0.69 PIK3CA (0.56) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL13127047 0.69 VCP (0.48) SYKVCPADORA1ADORA2AMERTK
SCHEMBL3451258 0.68 CDC7 (0.58) SYKCDK1CDK2CDK5ADORA1
SCHEMBL13110714 0.68 BCL6 (0.54) VCPMERTKKDM4E
SCHEMBL3229491 0.68 VCP (0.49) SYKVCPADORA1ADORA2AMERTK
SCHEMBL3228814 0.68 VCP (0.52) SYKVCPADORA1ADORA2AMERTK

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
US-7820654-B2 Pyrimidine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-26 US disclosed