SCHEMBL30748604

SCHEMBL30748604

NC(=O)c1ccc(-c2cc3cccnc3cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
AR P10275 1/20 0.51
MKNK1 Q9BUB5 6/20 0.49
MKNK2 Q9HBH9 6/20 0.49
MAP4K4 O95819 2/20 0.48
NPC1 O15118 3/20 0.48
CHEK2 O96017 3/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.45
TRPV1 Q8NER1 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
PLK1 P53350 1/20 0.43

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
SCHEMBL24021437 0.77 HTT (0.64) RIPK1ARNPC1RAB9APOLB
SCHEMBL29845556 0.77 HTT (0.64) RIPK1ARNPC1RAB9APOLB
SCHEMBL249349 0.77 HTT (0.64) RIPK1ARNPC1RAB9APOLB
Hydrochloric Acid SCHEMBL3701824 0.75 HTT (0.62) RIPK1ARNPC1RAB9APOLB
SCHEMBL7145196 0.75 LCK (0.47) ARNPC1RAB9APOLBALOX15
SCHEMBL2232014 0.73 ALDH1A1 (0.55) RIPK1ARMKNK1MKNK2ALOX15
SCHEMBL31068033 0.73 ALDH1A1 (0.55) RIPK1ARMKNK1MKNK2ALOX15
Quinoline SCHEMBL28128756 0.73 HTT (0.59) ARNPC1CHEK2RAB9APOLB
Hydrochloric Acid SCHEMBL28060868 0.72 MEN1 (0.53) RIPK1ARMKNK1MKNK2TRPV1
SCHEMBL26613435 0.72 CA12 (0.60) RIPK1MKNK1MKNK2MAP4K4CHEK2

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
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed