SCHEMBL4549828

SCHEMBL4549828

CCOC(OCC)c1cnc(Cl)nc1NC(CNC(=O)OC(C)(C)C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.48
STK17A Q9UEE5 1/20 0.48
AAK1 Q2M2I8 8/20 0.38
BRD4 O60885 1/20 0.37
SYK P43405 3/20 0.35
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CAPN1 P07384 1/20 0.33
NPR3 P17342 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
EGFR P00533 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10082684 1.00 STK17B (0.48) STK17BSTK17AAAK1BRD4SYK
SCHEMBL19286909 0.88 STK17B (0.48) STK17BSTK17AAAK1BRD4SYK
SCHEMBL4549891 0.85 STK17B (0.47) STK17BSTK17AAAK1BRD4SYK
SCHEMBL4549907 0.85 STK17B (0.45) STK17BSTK17AAAK1BRD4SYK
SCHEMBL2722858 0.84 STK17B (0.51) STK17BSTK17AAAK1BRD4SYK
SCHEMBL2722859 0.84 STK17B (0.51) STK17BSTK17AAAK1BRD4SYK
SCHEMBL2724468 0.84 STK17B (0.51) STK17BSTK17AAAK1BRD4SYK
SCHEMBL29437364 0.84 STK17B (0.51) STK17BSTK17AAAK1BRD4SYK
SCHEMBL2722821 0.84 STK17B (0.43) STK17BSTK17AAAK1BRD4SYK
SCHEMBL29437405 0.84 STK17B (0.43) STK17BSTK17AAAK1BRD4SYK

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-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-2014144740-A2 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 WO disclosed