SCHEMBL9220641

SCHEMBL9220641

COc1cc(Sc2ccc(-c3cnn4c(O)ncnc34)cc2C)c(Br)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
FYN P06241 2/20 0.34
ACVR2A P27037 2/20 0.33
TGFBR2 P37173 2/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 6/20 0.32
RAB9A P51151 5/20 0.32
KMT2A Q03164 4/20 0.32
PTPN1 P18031 2/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 4/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL9222669 0.89 MAPT (0.38) MAPTFYNACVR2ATGFBR2ALDH1A1
SCHEMBL9164734 0.81 RAB9A (0.35) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9172171 0.81 KMT2A (0.40) MAPTACVR2ATGFBR2ALDH1A1SMN1; SMN2
SCHEMBL9220988 0.81 MAPT (0.45) MAPTFYNACVR2ATGFBR2ALDH1A1
SCHEMBL9218703 0.81 MAPT (0.48) MAPTFYNACVR2ATGFBR2ALDH1A1
SCHEMBL9168978 0.81 ALDH1A1 (0.37) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9210159 0.79 RAB9A (0.34) MAPTFYNALDH1A1SMN1; SMN2NPC1
SCHEMBL9173974 0.79 KDR (0.38) MAPTFYNTGFBR2SMN1; SMN2NPC1
SCHEMBL9221267 0.79 SMN1; SMN2 (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9169069 0.79 KDR (0.33) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed