SCHEMBL23958222

SCHEMBL23958222

COc1cccc2nc(Nc3cccnc3)n(C3=CC=CCC3)c(=O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.35
SGMS1 Q86VZ5 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 4/20 0.34
ELANE P08246 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
AHR P35869 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
JAK2 O60674 1/20 0.33
PTK2 Q05397 1/20 0.33
MAPT P10636 2/20 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
SCHEMBL24111007 0.81 ALDH1A1 (0.42) SGMS1SGMS2POLBLMNAELANE
SCHEMBL23958206 0.75 ABCG2 (0.33) NPC1RAB9ACDK5CDK5R1KDM4E
SCHEMBL23958355 0.68 ALOX12 (0.46) ELANEMAPTKMT2A
SCHEMBL30103195 0.67 HTR7 (0.46) POLBLMNAMAPT
SCHEMBL23958283 0.67 HTR7 (0.46) POLBLMNAMAPT
SCHEMBL23958195 0.67 ABL1 (0.35) POLBMAPT
SCHEMBL24110960 0.66 PIK3CD (0.44) LMNAKMT2A
SCHEMBL23958344 0.66 PIK3CD (0.45) LMNAALDH1A1KMT2A
SCHEMBL23958352 0.66 G6PD (0.44) POLBLMNAHRH3NPC1RAB9A
SCHEMBL24110995 0.62 ALOX12 (0.57) RAB9AMAPTMEN1KMT2A

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-2021215537-A1 2-HETEROARYLAMINOQUINAZOLINONE DERIVATIVE 大日本住友製薬株式会社 (JP) 2021-10-28 WO disclosed