SCHEMBL4035180

SCHEMBL4035180

Cc1ccc(C(=O)Nc2ccnn2C)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KCNQ3 O43525 3/20 0.52
KCNQ2 O43526 3/20 0.52
KCNE1 P15382 2/20 0.52
KCNQ1 P51787 2/20 0.52
KCNQ5 Q9NR82 1/20 0.52
LCK P06239 1/20 0.52
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGDS O60760 1/20 0.46
MAOB P27338 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.42

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
SCHEMBL2214850 0.81 MAPK14 (0.46) MAPK14HDAC1HDAC6KCNQ3KCNQ2
SCHEMBL3767339 0.80 RAB9A (0.51) MAPK14HDAC1HDAC6LCKALDH1A1
SCHEMBL14161063 0.80 MAPK14 (0.43) MAPK14HDAC1HDAC6KCNQ3KCNQ2
SCHEMBL3892152 0.79 HPGDS (0.49) MAPK14LCKALDH1A1SMN1; SMN2HPGDS
SCHEMBL379866 0.77 MAPK14 (0.46) MAPK14LCKALDH1A1SMN1; SMN2HPGDS
SCHEMBL14938017 0.76 OXTR (0.57) SMN1; SMN2HPGDSKMT2A
SCHEMBL1504614 0.76 MAPK14 (0.58) MAPK14HDAC1HDAC6LCKALDH1A1
SCHEMBL13213725 0.76 POLB (0.50) MAPK14LCKSMN1; SMN2HPGDSKMT2A
SCHEMBL396727 0.75 POLB (0.53) MAPK14HPGDSMAPK8MAPK10KMT2A
SCHEMBL14699724 0.74 KMT2A (0.54) MAPK14LCKALDH1A1SMN1; SMN2HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086973-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF Amgen Inc., (US) 2009-08-12 EP disclosed
WO-2008045393-A2 IMIDAZO- AND TRIAZOLO-PYRIDINE COMPOUNDS AND METHODS OF USE THEROF AMGEN INC. (US) 2008-04-17 WO disclosed