SCHEMBL20217488

SCHEMBL20217488

CC1CN(c2ccc(C(=N)c3cc(NC=O)ccc3N)cc2)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
BTK Q06187 2/20 0.35
LRRK2 Q5S007 3/20 0.34
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
FGFR1 P11362 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20217381 0.87 HDAC1 (0.31)
SCHEMBL20217356 0.82 HDAC8 (0.43) MAPTKDM4ELMNAALDH1A1MAPK1
SCHEMBL20217314 0.80 IP6K1 (0.34) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL14418345 0.79 MAPT (0.59) MAPTBTKLRRK2ALDH1A1
SCHEMBL14565367 0.79 MAPT (0.59) MAPTBTKLRRK2ALDH1A1
SCHEMBL10133315 0.79 MAPT (0.59) MAPTBTKLRRK2ALDH1A1
SCHEMBL20217237 0.75 HDAC3 (0.38) MAPTKDM4ELMNALRRK2ALDH1A1
SCHEMBL20217281 0.73 TRPV1 (0.32)
SCHEMBL21254717 0.73 MAPT (0.53) MAPTKDM4ELMNAALDH1A1MAPK1
SCHEMBL20217239 0.71 F10 (0.41) SMN1; 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 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