SCHEMBL6089130

SCHEMBL6089130

NCC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)C(C3CCCC3)C(O)=CC4)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.54
CDK4 P11802 2/20 0.54
CCNB1 P14635 2/20 0.54
CCND1 P24385 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
WEE1 P30291 1/20 0.46
SYK P43405 17/20 0.46
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
JAK3 P52333 2/20 0.44
CHEK1 O14757 1/20 0.42
NUAK1 O60285 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
TYK2 P29597 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MAPK10 P53779 1/20 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
SCHEMBL6087383 0.92 SYK (0.54) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL6086961 0.89 SYK (0.55) CDK4CCND1CCNE1CDK2SYK
SCHEMBL6087644 0.89 CDK4 (0.59) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL6087449 0.87 CDK4 (0.46) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL6087101 0.85 SYK (0.44) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL6087785 0.85 SYK (0.43) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7469937 0.84 CDK4 (0.41) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL6089214 0.84 CDK2 (0.54) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL6087037 0.83 CDK4 (0.55) CDK1CDK4CCNB1CCND1CCNE1
SCHEMBL7462456 0.83 SYK (0.43) CDK1CDK4CCNB1CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US claimed
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO claimed
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed