SCHEMBL174243

SCHEMBL174243

CNC(=N)N(c1ccccc1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
CHRM5 P08912 1/20 0.38
CHKA P35790 1/20 0.38
MEN1 O00255 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PLOD2 O00469 1/20 0.34
PLOD3 O60568 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4099517 0.89 L3MBTL1 (0.45) KMT2AL3MBTL1LMNAMEN1SMN1; SMN2
SCHEMBL10667184 0.71 NPSR1 (0.74) KMT2AKDM4EL3MBTL1CHRM5CHKA
SCHEMBL17459987 0.71 NPSR1 (0.54) KMT2AKDM4EL3MBTL1CHRM5CHKA
SCHEMBL2481899 0.70 NPSR1 (0.46) KMT2AL3MBTL1LMNAMEN1NPSR1
SCHEMBL10668893 0.69 NPSR1 (0.57) KMT2AKDM4EL3MBTL1LMNACHRM5
SCHEMBL10669575 0.69 NPSR1 (0.52) KMT2AKDM4ELMNACHRM5MEN1
SCHEMBL174242 0.69 KDM4E (0.50) KMT2AKDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL18929814 0.69 TAAR1 (0.47) KMT2AKDM4ELMNACHRM5CHKA
SCHEMBL3400124 0.69 NPSR1 (0.44) KMT2AL3MBTL1LMNAMEN1NPSR1
SCHEMBL5961422 0.69 ALDH1A1 (0.46) KMT2AKDM4EL3MBTL1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103261160-A guanidine compounds and compositions for inhibition of NAMPT FORMA THERAPEUTICS INC 2013-08-21 CN claimed
EP-2611778-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
CN-103261160-A guanidine compounds and compositions for inhibition of NAMPT FORMA THERAPEUTICS INC 2013-08-21 CN disclosed
EP-2611778-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed