SCHEMBL14043299

SCHEMBL14043299

Cc1cc(C(F)(F)F)nc2c(Br)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GSK3B P49841 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
HTR6 P50406 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL21212754 0.83 HSP90AA1 (0.41) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12953988 0.81 CDK2 (0.38) CDK2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL7545686 0.78 KDM4E (0.57) CDK2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL19436706 0.77 KDM4E (0.66) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL11605893 0.75 LMNA (0.46) CDK2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL14050842 0.75 GSK3B (0.42) CDK2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL6515244 0.73 KDM4E (0.43) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL14043374 0.72 GSK3B (0.50) CDK2KDM4EALDH1A1MEN1KMT2A
SCHEMBL19436668 0.71 KDM4E (0.61) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL14050972 0.70 GSK3B (0.40) CDK2KDM4EALDH1A1MEN1KMT2A

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
WO-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 WO disclosed