SCHEMBL4549903

SCHEMBL4549903

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.49
STK17A Q9UEE5 1/20 0.49
LATS1 O95835 3/20 0.43
LATS2 Q9NRM7 1/20 0.43
SYK P43405 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAPKAPK2 P49137 3/20 0.33
AAK1 Q2M2I8 2/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
BRD4 O60885 2/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
NT5E P21589 1/20 0.32
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 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
SCHEMBL4549831 0.84 STK17B (0.61) STK17BSTK17ALATS1CKS1BSKP1
SCHEMBL15238226 0.82 STK17B (0.45) STK17BSTK17ALATS1LATS2SYK
SCHEMBL19286909 0.82 STK17B (0.48) STK17BSTK17ASYKMAPKAPK2AAK1
SCHEMBL4549891 0.81 STK17B (0.47) STK17BSTK17ASYKMAPKAPK2AAK1
SCHEMBL29474436 0.81 STK17B (0.54) STK17BSTK17ALATS1LATS2PIM1
SCHEMBL2722686 0.81 STK17B (0.54) STK17BSTK17ALATS1LATS2PIM1
SCHEMBL4549828 0.79 STK17B (0.48) STK17BSTK17ASYKAAK1BRD4
SCHEMBL10082684 0.79 STK17B (0.48) STK17BSTK17ASYKAAK1BRD4
SCHEMBL4549907 0.79 STK17B (0.45) STK17BSTK17ASYKMAPKAPK2AAK1
SCHEMBL15298140 0.78 STK17B (0.45) STK17BSTK17ASYKMAPKAPK2AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216792-A1 LACTAM KINASE INHIBITORS Tavares, Francis Xavier (US) 2017-09-13 EP disclosed
EP-2831080-B1 LACTAM KINASE INHIBITORS TAVARES FRANCIS XAVIER (US) 2017-03-15 EP disclosed
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-2013148748-A1 LACTAM KINASE INHIBITORS TAVARES FRANCIS XAVIER (US) 2013-10-03 WO disclosed
WO-2012061156-A1 CDK INHIBITORS TAVARES FRANCIS X (US) 2012-05-10 WO disclosed