SCHEMBL8823005

SCHEMBL8823005

Cc1cc(C)n2nc(C)c(Br)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HTR6 P50406 1/20 0.48
APOBEC3A P31941 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PIK3CG P48736 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL12888873 0.81 MAPT (0.56) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL23460193 0.81 L3MBTL1 (0.45) KDM4ETSHRHTR6APOBEC3AMEN1
SCHEMBL13134040 0.80 KDM4E (0.51) KDM4ETSHRHSD17B10HTR6MEN1
SCHEMBL38666647 0.77 PIK3CG (0.50) KDM4ETSHRHSD17B10HTR6MEN1
SCHEMBL22330396 0.74 KDM4E (0.46) KDM4ETSHRHSD17B10HTR6MEN1
SCHEMBL14350206 0.73 CRHR1 (0.63)
SCHEMBL8768671 0.73 KDM4E (0.66) KDM4ETSHRHSD17B10HTR6MEN1
SCHEMBL18208780 0.72 KDM4E (0.55) KDM4ETSHRHSD17B10HTR6APOBEC3A
SCHEMBL8822948 0.70 HTR6 (0.46) KDM4ETSHRHSD17B10HTR6MEN1
SCHEMBL15613276 0.70 KDM4E (0.75) KDM4ETSHRHSD17B10MEN1KMT2A

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
EP-0521622-B1 Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories UPJOHN CO (US) 1997-08-13 EP disclosed
US-5635495-A ANTIARTHRITIC AGENTS TREATING BONE DISORDER, OSTEOPOROSIS; CALCIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1997-06-03 US disclosed
EP-0593575-B1 PYRAZOLOPYRIMIDINE AND PYRIMIDINYL BISPHOSPHONIC ESTERS AS ANTI-INFLAMMATORIES UPJOHN CO (US) 1997-05-07 EP disclosed
US-5397774-A Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories THE UPJOHN COMPANY (US) 1995-03-14 US disclosed
EP-0593575-A1 PYRAZOLOPYRIMIDINE AND PYRIMIDINYL BISPHOSPHONIC ESTERS AS ANTI-INFLAMMATORIES. UPJOHN CO (US) 1994-04-27 EP disclosed
WO-1993001198-A1 PYRAZOLOPYRIMIDINE AND PYRIMIDINYL BISPHOSPHONIC ESTERS AS ANTI-INFLAMMATORIES THE UPJOHN COMPANY (US) 1993-01-21 WO disclosed
EP-0521622-A1 Pyrazolopyrimidine and pyrimidinyl bisphosphonic esters as anti-inflammatories THE UPJOHN COMPANY (US) 1993-01-07 EP disclosed