SCHEMBL14508264

SCHEMBL14508264

Nc1cccc(C(=O)c2sc(Nc3ccc(N4CCC(N5CCCCC5)CC4)cc3)nc2N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.59
CCND1 P24385 9/20 0.59
CDK11A Q9UQ88 8/20 0.59
CCNT1 O60563 7/20 0.59
CDK9 P50750 7/20 0.59
CDK6 Q00534 7/20 0.59
CCNA2 P20248 5/20 0.58
CDK2 P24941 5/20 0.58
CDK5 Q00535 6/20 0.55
CDK5R1 Q15078 5/20 0.55
GSK3A P49840 2/20 0.54
GSK3B P49841 2/20 0.54
LTK P29376 1/20 0.54
CLK2 P49760 1/20 0.54
CDK7 P50613 1/20 0.54
LIMK1 P53667 1/20 0.54
PRKCQ Q04759 1/20 0.54
TAOK1 Q7L7X3 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
ALK Q9UM73 1/20 0.54

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
SCHEMBL13785096 0.93 CDK4 (0.57) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4333446 0.92 CCNA2 (0.59) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4340809 0.91 CCNA2 (0.63) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL14508291 0.91 CDK4 (0.60) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4337579 0.91 CCNA2 (0.60) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL13785004 0.91 CDK4 (0.55) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL13785100 0.90 CDK4 (0.61) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4333315 0.90 CCNA2 (0.64) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4338676 0.90 CDK4 (0.72) CDK4CCND1CDK11ACCNT1CDK9
SCHEMBL4338839 0.90 CDK4 (0.57) CDK4CCND1CDK11ACCNT1CDK9

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
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed