SCHEMBL14558339

SCHEMBL14558339

O=C(Nc1ccc(C(F)(F)F)cn1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.63
CDK5R1 Q15078 5/20 0.63
RAB9A P51151 3/20 0.59
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 1/20 0.55
NPC1 O15118 1/20 0.54
IDE P14735 1/20 0.47
MAPK10 P53779 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
PTGS1 P23219 2/20 0.45
DEGS1 O15121 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
DYRK1A Q13627 1/20 0.43
CCR6 P51684 1/20 0.43

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
SCHEMBL21682962 0.86 CDK5 (0.71) CDK5CDK5R1LMNAMAPK1MAPT
SCHEMBL5341105 0.82 CDK5 (0.81) CDK5CDK5R1LMNAMAPK1MAPT
SCHEMBL14558320 0.82 CDK5 (0.67) CDK5CDK5R1RAB9AMAPTNPC1
SCHEMBL21682845 0.81 CDK5 (0.64) CDK5CDK5R1RAB9ALMNAMAPK1
SCHEMBL5338197 0.80 CDK5 (0.65) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348176 0.78 CDK5 (1.00) CDK5CDK5R1RAB9ALMNANPC1
SCHEMBL5345256 0.77 CDK5 (0.61) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345431 0.76 CDK5 (0.78) CDK5CDK5R1LMNAMAPK1MAPT
SCHEMBL5788420 0.75 CDK5 (0.70) CDK5CDK5R1RAB9AMAPK1NPC1
SCHEMBL5348977 0.75 CDK5 (0.62) CDK5CDK5R1LMNAMAPK1MAPT

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-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed