SCHEMBL21387450

SCHEMBL21387450

Cc1ccc(-c2noc(CC3CNC3)n2)cc1NC=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.40
MAPK14 Q16539 1/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL21387529 0.90 KIT (0.49) KITCNR1CNR2ALDH1A1RAB9A
SCHEMBL21387453 0.85 KIT (0.41) KITTSHRMAPTTP53S1PR1
SCHEMBL21387395 0.81 CNR1 (0.48) KITCNR1CNR2ALDH1A1RAB9A
SCHEMBL21387497 0.79 KIT (0.47) KITCNR1CNR2ALDH1A1RAB9A
SCHEMBL21387522 0.79 KIT (0.45) KITCNR1CNR2MAPTTP53
SCHEMBL21387356 0.78 CNR1 (0.45) KITCNR1CNR2ALDH1A1RAB9A
SCHEMBL22280284 0.76 ALDH1A1 (0.55) ALDH1A1RAB9ATSHRRECQLMAPT
SCHEMBL21387469 0.75 NR1H4 (0.57) KITRAB9A
SCHEMBL20844832 0.75 KIT (0.53) KITRAB9ALMNA
SCHEMBL22280507 0.74 CNR1 (0.46) KITCNR1CNR2ALDH1A1RAB9A

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-2751104-B1 COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-25 EP disclosed