SCHEMBL9214289

SCHEMBL9214289

COc1cccc(-c2cnn3c(O)ncnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.50
TGFBR2 P37173 1/20 0.48
EGLN2 Q96KS0 1/20 0.46
SRC P12931 8/20 0.46
ABL1 P00519 5/20 0.46
EGFR P00533 5/20 0.46
ABL2 P42684 5/20 0.46
CDK1 P06493 2/20 0.46
FYN P06241 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9215969 0.87 CYP1A1 (0.42) KDRTGFBR2ABL1LMNAMAPT
SCHEMBL9212121 0.86 KDR (0.44) KDRSRCABL1EGFRABL2
SCHEMBL9280278 0.85 ALDH1A1 (0.44) KDRSRCKDM4EALDH1A1LMNA
SCHEMBL8992950 0.84 LTA4H (0.43) TGFBR2SRCABL1EGFRABL2
SCHEMBL9217924 0.84 KMT2A (0.54) KDRTGFBR2SRCABL1EGFR
SCHEMBL8992882 0.83 HCAR2 (0.46) SRCCDK1CYP3A4CYP2D6MAPT
SCHEMBL9221803 0.83 ALDH1A1 (0.44) KDRSRCKDM4EALDH1A1MAPT
SCHEMBL9218534 0.82 SRC (0.47) KDRSRCABL1EGFRABL2
SCHEMBL8992845 0.82 FYN (0.40) KDRTGFBR2SRCABL1EGFR
SCHEMBL9173974 0.82 KDR (0.38) KDRTGFBR2EGLN2SRCABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7118272-A None JP disclosed
EP-0269859-B2 Pyrazolotriazine compounds OTSUKA PHARMA CO LTD (JP) 1995-10-18 EP disclosed
JP-H07118272-A PRODUCTION OF 4-HYDROXYPYRAZOLOTRIAZINE DERIVATIVE AND ITS OPTICALLY ACTIVE SUBSTANCE OTSUKA PHARMACEUT CO LTD 1995-05-09 JP 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