SCHEMBL7901568

SCHEMBL7901568

COc1cc(-c2c[nH]nc2N)ccc1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FYN P06241 2/20 0.40
ACHE P22303 1/20 0.40
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
HPGDS O60760 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
DYRK1A Q13627 1/20 0.37
DHFR P00374 1/20 0.36

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
SCHEMBL7892605 0.84 BRD4 (0.35) TNK2KMT2AADORA2AALDH1A1MAPT
SCHEMBL7901581 0.77 MAOA (0.37) TNK2ALDH1A1HPGDMAPK1DHFR
SCHEMBL31457290 0.74 ALDH1A1 (0.45) TNK2MEN1KMT2AFYNALDH1A1
SCHEMBL9173107 0.73 DHFR (0.42) TNK2ADORA2AALDH1A1MAPTKDM4E
SCHEMBL11580822 0.68 MAOB (0.48) TNK2ALDH1A1MAPTGAAKDM4E
SCHEMBL544598 0.68 MAP4K4 (0.48) TNK2MEN1KMT2AACHEALDH1A1
SCHEMBL9163459 0.68 TTR (0.55) TNK2KMT2AALDH1A1MAPTGAA
SCHEMBL4700185 0.67 TDO2 (0.55) KMT2AFYNADORA1ADORA2AALDH1A1
SCHEMBL9172328 0.67 FYN (0.40) TNK2MEN1KMT2AFYNALDH1A1
SCHEMBL3289071 0.67 AR (0.56) MEN1KMT2AALDH1A1MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197774-B1 THERAPY FOR ASTHMA, SKIN DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-1019501-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
WO-1998041526-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-09-24 WO disclosed