SCHEMBL8701095

SCHEMBL8701095

COC(=O)CSc1ncnc2c1ncn2C(=O)NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
NOTUM Q6P988 2/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSK3B P49841 1/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PRNP P04156 1/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL17595177 0.70 CYP2C19 (0.60) ALDH1A1HPGDHSD17B10MAPK1ALOX15
SCHEMBL10609208 0.68 NOTUM (0.46) PKMNOTUMALDH1A1L3MBTL1HPGD
SCHEMBL8237163 0.66 KDM4E (0.61) PKMNOTUMALDH1A1L3MBTL1HPGD
SCHEMBL8701088 0.65 KMT2A (0.43) PKMNOTUMALDH1A1L3MBTL1HPGD
SCHEMBL18236420 0.64 ALDH1A1 (0.80) PKMALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL6694591 0.63 EGFR (0.60) ALDH1A1
SCHEMBL9987721 0.62 NOTUM (0.48) PKMNOTUMALDH1A1L3MBTL1HPGD
SCHEMBL8696237 0.62 TSHR (0.72) ALDH1A1HPGDMAPK1MAPTLMNA
SCHEMBL10610067 0.62 NOTUM (0.40) PKMNOTUMALDH1A1L3MBTL1HPGD
SCHEMBL439326 0.62 NOTUM (0.57) NOTUMALDH1A1L3MBTL1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731320-A TREATING PATIENT IN NEED OF IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY OR ANTIPROLIFERATIVE THERAPY ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5643918-A MACROCYCLIC COMPOUNDS TO REVERSE DRUG RESISTANCE, VIRICIDES, ANTIINFLAMMATORY AGENTS AND FUNGICIDES ABBOTT LABORATORIES (US) 1997-07-01 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5563172-A MICROBIOCIDES, FUNGICIDES, VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS ABBOTT LABORATORIES (US) 1996-10-08 US disclosed
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed
EP-0689545-A4 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LAB (US) 1996-04-24 EP disclosed
EP-0689545-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-03 EP disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed
WO-1994021642-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed