SCHEMBL13812976

SCHEMBL13812976

Cc1cnc(Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1N(C)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.64
CCND1 P24385 4/20 0.64
CCND3 P30281 3/20 0.64
CCND2 P30279 2/20 0.64
JAK3 P52333 4/20 0.58
LCK P06239 2/20 0.58
CDK2 P24941 2/20 0.58
CCNK O75909 1/20 0.58
CCNA2 P20248 1/20 0.58
CDK9 P50750 1/20 0.58
CDK6 Q00534 1/20 0.58
SYK P43405 5/20 0.53
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
JAK2 O60674 1/20 0.48
EGFR P00533 1/20 0.48
CCNE1 P24864 1/20 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
SCHEMBL4067264 0.91 CCND3 (0.59) CDK4CCND1CCND3CCND2JAK3
SCHEMBL13768876 0.87 CDK4 (0.59) CDK4CCND1CCND3CCND2JAK3
SCHEMBL1979124 0.80 CCND3 (0.55) CDK4CCND1CCND3CCND2JAK3
Hydrochloric Acid SCHEMBL17838912 0.79 CCND3 (0.51) CDK4CCND1CCND3CCND2JAK3
SCHEMBL6073717 0.78 CDK4 (0.54) CDK4CCND1CCND3CCND2JAK3
SCHEMBL14681894 0.78 CDK4 (0.75) CDK4CCND1CCND3CCND2CDK2
SCHEMBL5520791 0.78 SYK (0.62) CDK4CCND1CCND3CCND2CDK2
SCHEMBL11976969 0.77 CDK4 (0.68) CDK4CCND1CCND3CCND2CDK2
SCHEMBL1355734 0.77 CDK4 (0.69) CDK4CCND1CCND3CCND2JAK3
SCHEMBL12639344 0.77 CDK4 (0.69) CDK4CCND1CCND3CCND2JAK3

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 disclosed