SCHEMBL6223804

SCHEMBL6223804

Cc1c(Br)c(=O)n(-c2ccccc2)c2nc(Nc3ccc(N4CCNCC4)cn3)ncc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.73
CCND1 P24385 16/20 0.73
CCND2 P30279 12/20 0.73
CCND3 P30281 12/20 0.73
CDK6 Q00534 5/20 0.63
CDK2 P24941 7/20 0.59
CCNA2 P20248 6/20 0.59
CCNA1 P78396 4/20 0.59
CCNB2 O95067 2/20 0.59
CCNE2 O96020 2/20 0.59
CDK1 P06493 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNE1 P24864 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
CHEK1 O14757 1/20 0.59
DAPK3 O43293 1/20 0.59
CCNT1 O60563 1/20 0.59
CCNT2 O60583 1/20 0.59
ROCK2 O75116 1/20 0.59
STK16 O75716 1/20 0.59

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
SCHEMBL29507507 0.84 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK6
SCHEMBL6221577 0.84 CDK4 (1.00) CDK4CCND1CCND2CCND3CDK6
SCHEMBL6223801 0.84 CDK4 (0.98) CDK4CCND1CCND2CCND3CDK6
SCHEMBL30176543 0.82 CDK4 (0.95) CDK4CCND1CCND2CCND3CDK6
SCHEMBL4833535 0.82 CDK4 (0.95) CDK4CCND1CCND2CCND3CDK6
Hydrochloric Acid SCHEMBL4833232 0.82 CDK4 (0.94) CDK4CCND1CCND2CCND3CDK6
SCHEMBL1975127 0.81 CDK4 (0.82) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL4830895 0.79 CDK4 (0.70) CDK4CCND1CCND2CCND3CDK6
Hydrochloric Acid SCHEMBL4833065 0.78 CDK4 (0.69) CDK4CCND1CCND2CCND3CDK6
SCHEMBL1977560 0.78 CDK4 (1.00) CDK4CCND1CDK6CDK1CCNB1

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-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP claimed