SCHEMBL4963414

SCHEMBL4963414

Nc1nc2nc(Cc3ccc(Br)s3)[nH]c2c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.64
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9434519 0.85 PNP (0.64) PNPFGFR1FGFR2
SCHEMBL3300185 0.85 PNP (0.64) PNPFGFR1FGFR2KDM4EMEN1
SCHEMBL8208743 0.81 PNP (0.64) PNPFGFR1FGFR2
SCHEMBL5084758 0.80 PNP (0.67) PNPFGFR1FGFR2KDM4EMEN1
SCHEMBL9960811 0.79 PNP (0.71) PNPFGFR1FGFR2KDM4EMEN1
SCHEMBL4962855 0.78 PNP (1.00) PNPFGFR1FGFR2KDM4E
SCHEMBL3310268 0.77 PNP (0.75) PNPFGFR1FGFR2
Hydrochloric Acid SCHEMBL17186372 0.77 PNP (0.97) PNPFGFR1FGFR2KDM4E
SCHEMBL4966173 0.77 PNP (0.63) PNPFGFR1FGFR2
Hydrochloric Acid SCHEMBL17186418 0.75 PNP (0.67) PNPFGFR1FGFR2KDM4EMEN1

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-4054057-B2 2008-02-27 JP claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP claimed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO claimed
EP-0702683-B1 06-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER REC TECH LTD (GB) 2003-09-17 EP disclosed
WO-1994029312-A1 O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1994-12-22 WO disclosed