SCHEMBL6089263

SCHEMBL6089263

CC(C)c1c(O)ccc2cnc(Nc3ccc(N4CCC(CCCN5CCOCC5)CC4)c(F)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.51
CDK1 P06493 7/20 0.51
CCNB1 P14635 7/20 0.51
CCND1 P24385 7/20 0.51
CCNE1 P24864 7/20 0.51
CDK2 P24941 7/20 0.51
JAK3 P52333 9/20 0.45
SYK P43405 1/20 0.42
CDK6 Q00534 3/20 0.42
CSF1R P07333 2/20 0.42
JAK2 O60674 4/20 0.41
JAK1 P23458 3/20 0.41
FLT3 P36888 3/20 0.41
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
CYP2C9 P11712 1/20 0.40
FLT1 P17948 1/20 0.40
TYK2 P29597 1/20 0.40
CCND3 P30281 1/20 0.40

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
SCHEMBL6087488 0.90 CDK4 (0.65) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6090027 0.89 CDK4 (0.56) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6087843 0.88 CDK4 (0.66) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6087523 0.83 CDK4 (0.49) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6087320 0.82 CDK4 (0.51) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6087926 0.82 CDK4 (0.67) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6087344 0.81 CDK4 (0.48) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6087246 0.80 CDK4 (0.57) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6086805 0.79 CDK4 (0.58) CDK4CDK1CCNB1CCND1CCNE1
SCHEMBL6087345 0.79 CDK4 (0.77) CDK4CDK1CCNB1CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO disclosed