SCHEMBL6944231

SCHEMBL6944231

Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CCND1 P24385 20/20 1.00
CCND2 P30279 20/20 1.00
CCND3 P30281 20/20 1.00
NUAK1 O60285 2/20 1.00
FGFR1 P11362 2/20 1.00
FGFR2 P21802 2/20 1.00
FGFR4 P22455 2/20 1.00
FGFR3 P22607 2/20 1.00
CCNB2 O95067 3/20 0.82
CDK1 P06493 3/20 0.82
CCNB1 P14635 3/20 0.82
CCNB3 Q8WWL7 3/20 0.82
MARK3 P27448 1/20 0.82
MARK2 Q7KZI7 1/20 0.82
MARK4 Q96L34 1/20 0.82
NUAK2 Q9H093 1/20 0.82
MARK1 Q9P0L2 1/20 0.82
CCNE2 O96020 2/20 0.72
CCNA2 P20248 2/20 0.72

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
SCHEMBL7071397 0.99 CDK4 (0.98) CDK4CCND1CCND2CCND3NUAK1
Hydrochloric Acid SCHEMBL6938660 0.97 CDK4 (0.98) CDK4CCND1CCND2CCND3NUAK1
Trifluoroacetic Acid SCHEMBL6938645 0.93 CDK4 (0.86) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6940737 0.92 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6941108 0.90 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6938532 0.90 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL6945611 0.90 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL7071548 0.90 CDK4 (0.81) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL4835935 0.89 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1
SCHEMBL29507502 0.89 CDK4 (1.00) CDK4CCND1CCND2CCND3NUAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268476-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-01-02 EP claimed
WO-2001070741-A1 5-ALKYLPYRIDO[2,3-D]PYRIMIDINES TYROSINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-27 WO claimed