SCHEMBL22540918

SCHEMBL22540918

Cc1cc(C(=O)NC(C)C)nc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
CBLB Q13191 2/20 0.44
CNR1 P21554 1/20 0.42
PDE2A O00408 11/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
MLYCD O95822 1/20 0.40
HDAC4 P56524 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL16261251 0.86 CNR1 (0.46) NPSR1CNR1PDE2AL3MBTL1ALDH1A1
SCHEMBL22550861 0.84 NPSR1 (0.44) NPSR1PDE2AMLYCDHDAC4KDM4E
SCHEMBL21199850 0.80 SMN1; SMN2 (0.43) IRAK4KDM4EALDH1A1HPGD
SCHEMBL18168037 0.77 RBP4 (0.41) CBLBL3MBTL1KDM4EALDH1A1
SCHEMBL23023554 0.76 CBLB (0.45) NPSR1CBLBCNR1PDE2AMLYCD
SCHEMBL16261254 0.72 NPSR1 (0.63) NPSR1MLYCD
SCHEMBL22540909 0.72 NPSR1 (0.41) NPSR1PDE2AL3MBTL1MLYCDHDAC4
SCHEMBL23023546 0.72 JAK2 (0.45) CNR1PDE2A
SCHEMBL10271821 0.70 HSP90AA1 (0.52) L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL5433498 0.70 LMNA (0.58) NPSR1MLYCDHDAC4

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
WO-2020264398-A1 SUBSTITUTED BENZYL-TRIAZOLE COMPOUNDS FOR CBL-B INHIBITION, AND FURTHER USES THEREOF NURIX THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed
WO-2020210508-A1 3-SUBSTITUTED PIPERIDINE COMPOUNDS FOR CBL-B INHIBITION, AND USE OF A CBL-B INHIBITOR IN COMBINATION WITH A CANCER VACCINE AND/OR ONCOLYTIC VIRUS NURIX THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed