SCHEMBL4549915

SCHEMBL4549915

CCOC(OCC)c1cnc(Cl)nc1NC1(CNC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.44
STK17A Q9UEE5 1/20 0.44
P2RX7 Q99572 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
SYK P43405 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
DRD2 P14416 2/20 0.31
FPR3 P25089 1/20 0.30
FPR2 P25090 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
SCHEMBL15298140 0.99 STK17B (0.45) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL25955381 0.85 STK17B (0.41) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL2723184 0.85 STK17B (0.41) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL18638035 0.84 STK17B (0.42) STK17BSTK17AP2RX7SYKMAPKAPK2
SCHEMBL29437376 0.84 STK17B (0.41) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL2724824 0.84 STK17B (0.41) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL20980140 0.84 STK17B (0.47) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL20926997 0.84 STK17B (0.47) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL2724465 0.84 STK17B (0.47) STK17BSTK17AP2RX7NPFFR1NPFFR2
SCHEMBL2726118 0.82 STK17B (0.48) STK17BSTK17AP2RX7NPFFR1NPFFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2014144847-A2 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION 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-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 WO disclosed