SCHEMBL24713307

SCHEMBL24713307

C=C(C)Nc1nc2c(OC)ncc(-c3ccccc3)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 2/20 0.36
POLQ O75417 2/20 0.35
PIK3CG P48736 2/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
RAB9A P51151 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
CASP1 P29466 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
KDR P35968 2/20 0.34
RET P07949 1/20 0.34
FLT1 P17948 1/20 0.34
MAPK14 Q16539 1/20 0.34
CHRM4 P08173 2/20 0.34

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
SCHEMBL22063313 0.83 ALDH1A1 (0.55) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL22063902 0.82 PIK3CG (0.40) MAPTKMT2AMEN1ALDH1A1ALOX5
SCHEMBL30128074 0.82 ALDH1A1 (0.56) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL29607036 0.81 CSNK2A2 (0.49) KMT2AMEN1RAB9AKDRNPC1
SCHEMBL24349424 0.81 CSNK2A2 (0.49) KMT2AMEN1RAB9AKDRNPC1
SCHEMBL24713254 0.81 ADORA1 (0.44) KMT2AMEN1LMNARAB9AKDR
SCHEMBL24713738 0.81 ADORA2A (0.35) POLQPIK3CGADORA1PIK3CDPIK3CA
SCHEMBL30128039 0.80 PIK3CD (0.41) MAPTKMT2AMEN1ALDH1A1ALOX5
SCHEMBL24713290 0.80 GHSR (0.35) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL22064038 0.80 POLQ (0.36) MAPTKMT2AALDH1A1ALOX5POLQ

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-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed