SCHEMBL22650505

SCHEMBL22650505

CNC(=N)Nc1ccc(N2CCNCCC2=O)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.38
HTR6 P50406 1/20 0.35
CDK4 P11802 4/20 0.35
CCND1 P24385 3/20 0.35
CDK6 Q00534 2/20 0.35
CCNT1 O60563 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
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CACNA2D1 P54289 2/20 0.34
SLC6A2 P23975 1/20 0.34
ABL1 P00519 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL24483273 0.82 CHRNB2 (0.49) CDK4CCND1CDK6CCNT1CCND3
SCHEMBL22650606 0.80 WNT3A (0.39) F10CDK4CCND1CDK6CACNA2D1
SCHEMBL22650942 0.78 CDK4 (0.34) F10CDK4CCND1CDK6CCND3
SCHEMBL18291654 0.75 PIM1 (0.43) F10HTR6CACNA2D1SLC6A2PIM1
SCHEMBL22650899 0.75 USP30 (0.34) CDK4CCND1
SCHEMBL22650900 0.75 USP30 (0.34) CDK4CCND1
SCHEMBL22650832 0.74 TSHR (0.38) CDK4
SCHEMBL5158426 0.73 HTR6 (0.43) F10HTR6CACNA2D1SLC6A2PIM1
SCHEMBL20037996 0.72 HTR6 (0.42) F10HTR6CACNA2D1SLC6A2PIM1
SCHEMBL22650833 0.72 TSHR (0.36) CDK4

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