SCHEMBL4069730

SCHEMBL4069730

CCOC(=O)Oc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.57
CCND1 P24385 18/20 0.57
CCND3 P30281 14/20 0.57
CCND2 P30279 10/20 0.57
CDK2 P24941 6/20 0.56
CDK6 Q00534 6/20 0.53
CCNT1 O60563 5/20 0.53
CDK9 P50750 5/20 0.53
CCNA2 P20248 5/20 0.53
CDK7 P50613 4/20 0.53
CCNH P51946 4/20 0.53
CDK1 P06493 3/20 0.53
CCNB1 P14635 3/20 0.53
SYK P43405 1/20 0.51
CCNA1 P78396 2/20 0.50
CHEK1 O14757 1/20 0.50
DAPK3 O43293 1/20 0.50
CCNT2 O60583 1/20 0.50
ROCK2 O75116 1/20 0.50
STK16 O75716 1/20 0.50

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
SCHEMBL4073787 0.93 CDK4 (0.51) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4075543 0.93 SYK (0.53) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4066054 0.88 CDK4 (0.67) CDK4CCND1CCND3CCND2CDK2
Hydrochloric Acid SCHEMBL4066040 0.87 CDK4 (0.67) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4071475 0.87 SYK (0.49) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4070689 0.84 CDK4 (0.55) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4071249 0.83 CDK4 (0.56) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4074950 0.83 CDK4 (0.56) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4076077 0.82 SYK (0.61) CDK4CCND1CCND3CCND2CDK2
SCHEMBL4067757 0.82 CDK4 (0.64) CDK4CCND1CCND3CCND2CDK2

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-1590341-B1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2009-06-17 EP claimed