SCHEMBL7844630

SCHEMBL7844630

N#Cc1c(-c2ccccc2)cn(-c2cccc(OCc3ccccc3)c2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 3/20 0.55
SQOR Q9Y6N5 1/20 0.46
MAOB P27338 4/20 0.46
NSD2 O96028 1/20 0.46
GRM5 P41594 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
PIM1 P11309 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
CDK1 P06493 1/20 0.43
SRC P12931 1/20 0.43
ABL2 P42684 1/20 0.43
NAAA Q02083 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
GRM2 Q14416 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
NR4A2 P43354 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
SCHEMBL7833944 0.89 AS3MT (0.49) AS3MTMAOBNSD2GRM5PDCD1
SCHEMBL7836453 0.87 AS3MT (0.42) AS3MTABL1EGFRCDK1SRC
SCHEMBL1907296 0.81 SRC (0.45) AS3MTABL1EGFRCDK1SRC
SCHEMBL7835925 0.80 CA12 (0.54) ABL1EGFRCDK1SRCABL2
SCHEMBL7847918 0.78 SRC (0.55) PDCD1CD274ABL1EGFRCDK1
SCHEMBL14673720 0.77 CA12 (0.48) AS3MTABL1EGFRCDK1SRC
SCHEMBL27322830 0.75 AS3MT (0.39) AS3MTNSD2PDCD1CD274PIM1
SCHEMBL7835893 0.74 KDM4E (0.50) SRC
SCHEMBL7845816 0.74 SRC (0.76) ABL1EGFRCDK1SRCABL2
SCHEMBL1902613 0.74 CA12 (0.56) PIM1ABL1EGFRCDK1SRC

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