SCHEMBL20217418

SCHEMBL20217418

CC(=N)c1cc(NC(=O)C(c2ccccn2)C2CCCC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.45
HTR1E P28566 3/20 0.43
S1PR3 Q99500 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.41
LRRK2 Q5S007 3/20 0.40
NPY2R P49146 2/20 0.39
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MET P08581 1/20 0.37
KDR P35968 1/20 0.37
MERTK Q12866 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ACKR3 P25106 2/20 0.36
GRM4 Q14833 3/20 0.36

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
SCHEMBL20217431 0.80 KDR (0.41) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL20217220 0.80 HTR1E (0.55) HTR1ES1PR3MEN1LMNAKMT2A
SCHEMBL20217145 0.77 CYP3A4 (0.47) S1PR3MEN1KMT2AALDH1A1
SCHEMBL20217368 0.76 CYP3A4 (0.46) S1PR3MEN1KMT2AALDH1A1
SCHEMBL20217424 0.74 HTR1E (0.45) FFAR2HTR1ES1PR3MEN1LMNA
SCHEMBL14863447 0.72 FFAR2 (0.45) FFAR2HTR1ES1PR3MEN1LMNA
SCHEMBL14873325 0.72 FFAR2 (0.47) FFAR2HTR1ES1PR3MEN1LMNA
SCHEMBL20217169 0.69 HTR1E (0.40) FFAR2HTR1ES1PR3MEN1LMNA
SCHEMBL20217332 0.69 TRPM8 (0.43) MEN1KMT2ALRRK2ALDH1A1
SCHEMBL20217633 0.69 TRPM8 (0.43) MEN1KMT2ALRRK2ALDH1A1

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed