SCHEMBL22650487

SCHEMBL22650487

CC(C)c1cnn2ccc(-c3nc(Nc4ccc(N5CCOCC5=O)cc4F)ncc3F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.42
CDK6 Q00534 6/20 0.42
CSF1R P07333 4/20 0.42
F10 P00742 3/20 0.39
JAK2 O60674 2/20 0.38
NTRK1 P04629 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MTOR P42345 1/20 0.37
CDK2 P24941 2/20 0.37
PIK3CD O00329 1/20 0.37
CCNK O75909 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK9 P50750 1/20 0.37
EGFR P00533 2/20 0.36
MAPK8 P45983 2/20 0.36
GSK3B P49841 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
PIK3CG P48736 1/20 0.36
KCNH2 Q12809 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL22650401 0.91 NTRK1 (0.46) CDK4CDK6CSF1RJAK2NTRK1
SCHEMBL22650922 0.90 F10 (0.38) F10JAK2NTRK1LRRK2MTOR
SCHEMBL22650591 0.89 CDK6 (0.48) CDK4CDK6CSF1RJAK2CDK2
SCHEMBL22650396 0.86 CDK6 (0.47) CDK4CDK6CSF1RJAK2CDK2
SCHEMBL22650406 0.83 CDK6 (0.44) CDK4CDK6CSF1RF10JAK2
SCHEMBL22650475 0.79 CDK6 (0.58) CDK4CDK6CSF1RCDK2PIK3CD
SCHEMBL22650476 0.79 CDK6 (0.48) CDK4CDK6CSF1RNTRK1CDK2
SCHEMBL22650945 0.77 CDK6 (0.60) CDK4CDK6CSF1RCDK2PIK3CD
SCHEMBL22650601 0.77 CDK6 (0.48) CDK4CDK6CDK2CCNA2CDK9
SCHEMBL22650846 0.76 CDK4 (0.42) CDK4CDK6JAK2CDK2CCNA2

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed