SCHEMBL4549907

SCHEMBL4549907

CCOC(OCC)c1cnc(Cl)nc1N[C@H](CNC(=O)OC(C)(C)C)C(C)CC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
SYK P43405 3/20 0.33
PCSK9 Q8NBP7 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
BRD4 O60885 3/20 0.32
TRPA1 O75762 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
EGFR P00533 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.30

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
SCHEMBL19286909 0.88 STK17B (0.48) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL18495142 0.85 STK17B (0.47) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL20584280 0.85 STK17B (0.47) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL4549891 0.85 STK17B (0.47) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL2722937 0.85 STK17B (0.47) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL2722934 0.85 STK17B (0.47) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL4549828 0.85 STK17B (0.48) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL10082684 0.85 STK17B (0.48) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL2726114 0.84 STK17B (0.41) STK17BSTK17ASYKPCSK9AAK1
SCHEMBL20512302 0.84 STK17B (0.41) STK17BSTK17ASYKPCSK9AAK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3118203-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2017-01-18 EP disclosed
EP-2632467-B1 CDK INHIBITORS G1 THERAPEUTICS INC (US) 2016-06-22 EP disclosed
EP-2955183-A1 CDK INHIBITORS G1 Therapeutics, Inc. (US) 2015-12-16 EP disclosed
WO-2014144740-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144326-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014144847-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 WO disclosed