SCHEMBL6073333

SCHEMBL6073333

CCCN(CCC)C(=O)Nc1ccc2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 3/20 0.51
CDK2 P24941 2/20 0.51
CCNK O75909 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK9 P50750 1/20 0.51
CDK6 Q00534 1/20 0.51
SYK P43405 3/20 0.49
CDK4 P11802 3/20 0.48
CCND1 P24385 3/20 0.48
CCND2 P30279 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK3 P52333 5/20 0.46
JAK2 O60674 3/20 0.46
EGFR P00533 1/20 0.44
NAMPT P43490 1/20 0.43
PTK2 Q05397 2/20 0.42

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
SCHEMBL6074107 0.94 CDK2 (0.51) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL7066974 0.88 ALK (0.45) CCND3CDK2SYKCDK4CCND1
SCHEMBL6073647 0.88 CDK2 (0.56) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6073789 0.86 CCND3 (0.53) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6074138 0.86 CDK2 (0.58) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6073911 0.85 CDK2 (0.54) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6073717 0.85 CDK4 (0.54) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6074561 0.84 CDK4 (0.49) CCND3CDK2CCNA2SYKCDK4
SCHEMBL6073565 0.84 CCND3 (0.53) CCND3CDK2CCNKCCNA2CDK9
SCHEMBL6074236 0.84 CDK2 (0.53) CCND3CDK2CCNKCCNA2CDK9

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-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed