SCHEMBL22650784

SCHEMBL22650784

CC(C)c1cnc2cnc(-c3ccnc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5=O)cn4)n3)cn12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 1/20 0.42
CCND1 P24385 14/20 0.40
CDK4 P11802 13/20 0.40
CDK2 P24941 9/20 0.40
CCNA2 P20248 8/20 0.40
CDK6 Q00534 7/20 0.40
CDK1 P06493 7/20 0.40
CCNB1 P14635 7/20 0.40
CCND3 P30281 4/20 0.40
CDK7 P50613 4/20 0.40
CCNH P51946 4/20 0.40
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
ENPP2 Q13822 2/20 0.36
CCNA1 P78396 4/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
IGF1R P08069 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
SCHEMBL29491176 1.00 DYRK2 (0.42) DYRK2CCND1CDK4CDK2CCNA2
SCHEMBL31589820 1.00 DYRK2 (0.42) DYRK2CCND1CDK4CDK2CCNA2
SCHEMBL22650787 0.80 CDK4 (0.47) CCND1CDK4CDK2CCNA2CDK6
SCHEMBL22650497 0.74 DYRK2 (0.47) DYRK2CCND1CDK4CDK2CCNA2
SCHEMBL29462408 0.74 DYRK2 (0.47) DYRK2CCND1CDK4CDK2CCNA2
SCHEMBL29250206 0.71 DYRK2 (0.52) DYRK2CCND1CDK4CDK2CCNA2
SCHEMBL4903043 0.71 GPR119 (0.41) DYRK2CCNT1ENPP2
SCHEMBL31590654 0.70 DYRK2 (0.42) DYRK2CCND1CDK4CDK2CCNA2
SCHEMBL22363229 0.70 CDK4 (0.70) CCND1CDK4CDK6
SCHEMBL29551980 0.69 TYK2 (0.57) JAK2JAK3

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