SCHEMBL4962855

SCHEMBL4962855

Nc1nc2nc(Cc3cccs3)[nH]c2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 1.00
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46

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
Hydrochloric Acid SCHEMBL17186372 0.99 PNP (0.97) PNPKDM4ESMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL17186285 0.87 PNP (0.77) PNPFGFR1FGFR2
SCHEMBL5265323 0.81 PNP (0.68) PNPKDM4ESMN1; SMN2LMNATSHR
SCHEMBL5084758 0.81 PNP (0.67) PNPKDM4EFGFR1FGFR2
SCHEMBL9960811 0.80 PNP (0.71) PNPKDM4EFGFR1FGFR2
SCHEMBL4967481 0.79 PNP (0.65) PNPKDM4EFGFR1FGFR2
SCHEMBL9434519 0.78 PNP (0.64) PNPFGFR1FGFR2
SCHEMBL4963414 0.78 PNP (0.64) PNPKDM4EFGFR1FGFR2
SCHEMBL3300185 0.78 PNP (0.64) PNPKDM4EFGFR1FGFR2
SCHEMBL18248 0.78 PNP (1.00) PNPFGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4054057-B2 2008-02-27 JP claimed
CN-1948313-A Preparation method of tiemoazoleamine-8-carboxylic acid water soluble derivative, anticancer activity and application in preparing anticancer medicine TIANJIN BEIFANG SCIENCE AND TE (CN) 2007-04-18 CN 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
CN-1948313-A Preparation method of tiemoazoleamine-8-carboxylic acid water soluble derivative, anticancer activity and application in preparing anticancer medicine TIANJIN BEIFANG SCIENCE AND TE (CN) 2007-04-18 CN disclosed
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