SCHEMBL174242

SCHEMBL174242

CN(C(=N)Nc1ccncc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
TYK2 P29597 2/20 0.45
JAK2 O60674 1/20 0.45
HTT P42858 3/20 0.43
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.41
LMNA P02545 3/20 0.40
MDM2 Q00987 1/20 0.40
IMPDH2 P12268 1/20 0.40
CA9 Q16790 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL18929814 0.93 TAAR1 (0.47) KDM4EKMT2ATAAR1TYK2JAK2
SCHEMBL9113008 0.88 HTT (0.49) KMT2AHTTSMN1; SMN2LMNACA9
SCHEMBL7680708 0.80 HTT (0.46) KMT2AHTTSMN1; SMN2LMNACA9
SCHEMBL11836946 0.72 LMNA (0.48) KDM4EKMT2AHTTPOLBLMNA
SCHEMBL7421824 0.71 LMNA (0.47) KDM4EKMT2AHTTPOLBLMNA
SCHEMBL10536719 0.70 TAAR1 (0.61) KDM4EKMT2ATAAR1TYK2JAK2
SCHEMBL2001630 0.70 TAS2R38 (0.46) KMT2ATAAR1SMN1; SMN2POLBRAB9A
SCHEMBL5779983 0.69 JAK2 (0.61) KDM4EKMT2ATAAR1TYK2JAK2
SCHEMBL4979740 0.69 NOX1 (0.64) KMT2ASMN1; SMN2RAB9A
SCHEMBL174243 0.69 KMT2A (0.41) KDM4EKMT2ATAAR1HTTSMN1; SMN2

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