SCHEMBL22650553

SCHEMBL22650553

CC(C)n1cnc2c1CN(c1nc(Nc3ccc(N4CCNCC4=O)cc3F)ncc1F)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 9/20 0.51
CDK4 P11802 8/20 0.51
CCND1 P24385 5/20 0.51
CSF1R P07333 2/20 0.39
POLB P06746 1/20 0.38
BMPR2 Q13873 1/20 0.36
F10 P00742 1/20 0.35
ALK Q9UM73 4/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
MAPK7 Q13164 2/20 0.34
LRRK2 Q5S007 2/20 0.34
WEE1 P30291 2/20 0.34
DCLK1 O15075 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
SCHEMBL22650556 0.90 CDK4 (0.52) CDK6CDK4CCND1BMPR2CCNA2
SCHEMBL22650445 0.89 CDK4 (0.60) CDK6CDK4CCND1CSF1RCCNT1
SCHEMBL22650552 0.77 CDK4 (0.53) CDK6CDK4CCND1BMPR2CCNA2
SCHEMBL22650447 0.76 CDK4 (0.60) CDK6CDK4CCND1CSF1RCCNT1
SCHEMBL22650464 0.73 CDK6 (0.44) CDK6CDK4CCND1CSF1RF10
SCHEMBL22650762 0.73 CDK6 (0.67) CDK6CDK4CCND1CSF1RCCNT1
SCHEMBL22650753 0.73 CDK4 (0.51) CDK6CDK4CCND1BMPR2CCNT1
SCHEMBL22650754 0.73 CDK4 (0.51) CDK6CDK4CCND1BMPR2CCNT1
SCHEMBL22650545 0.71 CDK4 (0.55) CDK6CDK4CCND1CSF1RBMPR2
SCHEMBL22650749 0.68 CDK4 (0.54) CDK6CDK4CCND1

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