SCHEMBL21573787

SCHEMBL21573787

CNCCCc1[nH]nnc1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ILK Q13418 1/20 0.33

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
SCHEMBL21099038 0.80 HRH4 (0.37)
SCHEMBL19764588 0.80 HRH4 (0.37)
SCHEMBL5276540 0.78 HCAR2 (0.40) KDM4E
SCHEMBL9750315 0.76 HCAR2 (0.36)
SCHEMBL27562862 0.71
SCHEMBL17942070 0.70 MAPT (0.33)
SCHEMBL23284266 0.64
SCHEMBL17084633 0.63 L3MBTL1 (0.65) KDM4EMAPK1POLB
SCHEMBL29221863 0.63 NOS3 (0.35) KDM4EMAPK1NOS3NOS1NOS2
SCHEMBL5278803 0.63

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-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 EP disclosed