SCHEMBL21372633

SCHEMBL21372633

ONC(=Nc1ccc(F)c(C2CC2)c1)c1ccnc2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.41
CAMKK2 Q96RR4 1/20 0.38
PBK Q96KB5 4/20 0.37
TDO2 P48775 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 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
SCHEMBL21372652 0.84 IDO1 (0.39) IDO1CAMKK2PBKTDO2
SCHEMBL21372840 0.84 IDO1 (0.57) IDO1
SCHEMBL21372682 0.83 IDO1 (0.52) IDO1TDO2
SCHEMBL21372927 0.81 IDO1 (0.47) IDO1TDO2
SCHEMBL21373045 0.81 IDO1 (0.42) IDO1
SCHEMBL21373039 0.80 IDO1 (0.41) IDO1PBKTDO2
SCHEMBL21372968 0.80 IDO1 (0.41) IDO1TDO2
SCHEMBL18224816 0.80 CAMKK2 (0.39) CAMKK2PBK
SCHEMBL18236920 0.80 CAMKK2 (0.39) CAMKK2PBK
SCHEMBL18224817 0.80 CAMKK2 (0.39) CAMKK2PBK

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
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP claimed