SCHEMBL22540916

SCHEMBL22540916

Cc1cc(C(=O)NC(C)C)nc(C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 10/20 0.45
PDE2A O00408 4/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM5 P41594 3/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL22550831 0.85 PDE2A (0.42) PDE2AJAK2JAK1JAK3
SCHEMBL22550825 0.84 PDE2A (0.39) PDE2AJAK2JAK1JAK3
SCHEMBL22550926 0.83 PDE2A (0.38) PDE2AJAK2JAK1JAK3
SCHEMBL21200772 0.80 RBP4 (0.46) CBLBHTR2AHTR2CSLC6A4KDM4E
SCHEMBL23023546 0.78 JAK2 (0.45) PDE2AJAK2JAK1JAK3
SCHEMBL13769311 0.77 HCAR2 (0.43) CBLBHTR2AHTR2CSLC6A4KDM4E
SCHEMBL21199919 0.77 RBP4 (0.44) CBLBKDM4EGRM5
SCHEMBL21200298 0.76 LMNA (0.41) CBLBHTR2AHTR2CSLC6A4
SCHEMBL22695511 0.75 CBLB (0.57) CBLB
SCHEMBL21200043 0.74 HCAR2 (0.46) CBLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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