SCHEMBL22650698

SCHEMBL22650698

Fc1cnc(Cl)nc1-c1ccn2ncc(C3=CCOCC3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.35
CSNK1E P49674 3/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
PIK3CB P42338 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
CSNK1D P48730 2/20 0.33
MAPK1 P28482 3/20 0.33
HTR1D P28221 1/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
SERPINA2 P20848 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL22650468 0.75 CDK6 (0.41) PIK3CDCDK2
SCHEMBL22650436 0.74 RPS6KA5 (0.34)
SCHEMBL22650704 0.73 PIK3CA (0.36) MAPK14PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL22650908 0.72 CAMKK1 (0.38) PIK3CAMAPK1CDK2
SCHEMBL22650740 0.71 RPS6KA5 (0.32) PIK3CG
SCHEMBL22650356 0.71 SCN5A (0.39)
SCHEMBL22650437 0.69 SCN5A (0.42) PIK3CD
SCHEMBL22650697 0.66 MAPK1 (0.41) MAPK1HTR1DCDC7CDK2
SCHEMBL3313922 0.65 DYRK1A (0.47) PIK3CBCDK2
SCHEMBL31488065 0.64 PDK4 (0.44) EEDRBBP4SUZ12EZH2

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