SCHEMBL8229243

SCHEMBL8229243

Nc1[nH]ncc1-c1ccnc(NC2COC3(CCN(c4ncccn4)CC3)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.41
CDK4 P11802 7/20 0.41
CDK1 P06493 6/20 0.41
CCNA2 P20248 6/20 0.41
CCNB1 P14635 5/20 0.41
CCND1 P24385 5/20 0.41
CCNA1 P78396 5/20 0.41
MAPK10 P53779 11/20 0.40
MAPK8 P45983 11/20 0.40
MAPK9 P45984 10/20 0.40
MAPK14 Q16539 2/20 0.40
KCNH2 Q12809 1/20 0.39
CCNE1 P24864 2/20 0.39
CCND3 P30281 2/20 0.39
CDK6 Q00534 2/20 0.39
GSK3B P49841 2/20 0.38
MAP2K7 O14733 1/20 0.38
IKBKB O14920 1/20 0.38
MAPK13 O15264 1/20 0.38
MAP2K4 P45985 1/20 0.38

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
SCHEMBL8229255 0.71 CDK2 (0.59) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL5311762 0.71 CDK1 (0.74) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL8233754 0.70 CDK1 (0.60) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL8236156 0.70 CDK2 (0.70) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL8236618 0.70 CDK2 (0.56) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL8236067 0.69 CDK2 (0.51) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL8235683 0.69 MAPK10 (0.48) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL8236672 0.64 CDK2 (0.55) CDK2CDK4CDK1CCNA2CCNB1
SCHEMBL8233272 0.64 MKNK1 (0.60) CDK4GSK3B
SCHEMBL8236601 0.63 CDK4 (0.43) CDK2CDK4CDK1CCNA2CCNB1

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
WO-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed