SCHEMBL21200166

SCHEMBL21200166

O=C1NCc2c1cccc2C1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.56
DYRK1A Q13627 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
PIM1 P11309 1/20 0.56
CSNK1A1 P48729 1/20 0.56
ROCK1 Q13464 1/20 0.56
LRRK2 Q5S007 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
LTK P29376 1/20 0.49
MST1R Q04912 1/20 0.49
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PARP1 P09874 5/20 0.42
KDR P35968 2/20 0.41
PARP10 Q53GL7 3/20 0.41
PARP11 Q9NR21 3/20 0.41
MAP3K9 P80192 1/20 0.38

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
SCHEMBL29867145 1.00 CDK5 (0.56) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL21349617 0.93 CDK5 (0.53) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL31289384 0.90 CDK5 (0.50) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL31289326 0.84 CDK5 (0.47) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL31289320 0.76 KDM4E (0.49)
SCHEMBL1335497 0.76 DYRK1A (0.61) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29532218 0.73 PARP1 (0.70) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL6297545 0.73 PARP1 (0.70) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29867664 0.72 CDK5 (0.41) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL24148319 0.72 CDK5 (0.61) CDK5DYRK1ACLK4PIM1CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed