SCHEMBL7833944

SCHEMBL7833944

N#Cc1c(-c2ccc(OCc3ccccc3)cc2)cn(-c2cccc(OCCCl)c2)c1N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 3/20 0.49
PIM1 P11309 1/20 0.44
GRM2 Q14416 1/20 0.42
NSD2 O96028 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
GSTP1 P09211 1/20 0.40
MAOB P27338 3/20 0.39
GRM5 P41594 1/20 0.39
ICMT O60725 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL7844630 0.89 AS3MT (0.55) AS3MTPIM1GRM2NSD2PDCD1
SCHEMBL27322830 0.87 AS3MT (0.39) AS3MTPIM1GRM2NSD2PDCD1
SCHEMBL7842598 0.79 SRC (0.62)
SCHEMBL1907296 0.78 SRC (0.45) AS3MTGRM2
SCHEMBL7836453 0.78 AS3MT (0.42) AS3MT
SCHEMBL27195209 0.77 CA12 (0.44) AS3MTPIM1
SCHEMBL14673720 0.76 CA12 (0.48) AS3MTGRM2
SCHEMBL7845795 0.75 SRC (0.62)
SCHEMBL7844806 0.72 SRC (0.64)
SCHEMBL1902613 0.71 CA12 (0.56) PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783505-B1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2001-03-07 EP disclosed
CN-1046731-C Pyrrolo [2,3-d ] pyrimidines and their use NOVARTIS AG (CH) 1999-11-24 CN disclosed
US-5869485-A Pyrrolo 2,3-d!pyrimidines and their use NOVARTIS FINANCE CORP. (US) 1999-02-09 US disclosed
CN-1164234-A Pyrrolo [2, 3-d ] pyrimidines and their use NOVARTIS AG (CH) 1997-11-05 CN disclosed
EP-0783505-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE Novartis AG (CH) 1997-07-16 EP disclosed
WO-1996010028-A1 PYRROLO[2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 1996-04-04 WO disclosed