SCHEMBL30798772

SCHEMBL30798772

c1ccc2nc3cc4[nH]cnc4cc3nc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NQO2 P16083 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PRKCI P41743 1/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44

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
SCHEMBL15010385 1.00 KDM4E (0.48) KDM4EMAPTALDH1A1APEX1RECQL
Phenazine SCHEMBL28566498 0.81 KDM4E (0.50) KDM4EMAPTALDH1A1TDP1NQO2
SCHEMBL14511179 0.80 MAPT (0.68) KDM4EMAPTALDH1A1APEX1RECQL
SCHEMBL4132133 0.79 KDM4E (0.52) KDM4EMAPTALDH1A1APEX1RECQL
SCHEMBL12445185 0.78 MAPT (0.65) KDM4EMAPTALDH1A1APEX1RECQL
Bromide SCHEMBL23726605 0.78 KDM4E (0.50) KDM4EMAPTALDH1A1APEX1RECQL
SCHEMBL11206398 0.78 MAPT (0.50) KDM4EMAPTALDH1A1APEX1RECQL
SCHEMBL7229359 0.77 NPC1 (0.58) MAPTALDH1A1SMN1; SMN2RAB9ANPC1
Benzimidazole SCHEMBL18704815 0.76 KDM4E (0.48) KDM4EMAPTALDH1A1APEX1RECQL
SCHEMBL4612924 0.75 MAPT (0.79) KDM4EMAPTALDH1A1TDP1NQO2

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
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed