SCHEMBL7499713

SCHEMBL7499713

O=[N+]([O-])c1ccc(-c2cc3c(N4CCc5ccc(Cl)cc54)ncnc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.44
CSF1R P07333 2/20 0.43
KIT P10721 14/20 0.42
ROCK1 Q13464 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL7499406 0.87 SMN1; SMN2 (0.56) CSF1RKITROCK1HTTSMN1; SMN2
SCHEMBL7494890 0.87 KIT (0.46) CSF1RKITHRH4
SCHEMBL7495627 0.82 SMN1; SMN2 (0.49) CSF1RHTTSMN1; SMN2
SCHEMBL8648167 0.80 ROCK1 (0.47) RPS6KB1CSF1RROCK1HTTSMN1; SMN2
SCHEMBL8645966 0.80 ROCK1 (0.47) RPS6KB1CSF1RROCK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8649552 0.79 ROCK1 (0.46) RPS6KB1CSF1RROCK1HTTSMN1; SMN2
SCHEMBL9115422 0.77 ROCK1 (0.44) RPS6KB1CSF1RROCK1HTTSMN1; SMN2
SCHEMBL4338065 0.74 CSF1R (0.52) CSF1RKITHTT
SCHEMBL7496197 0.73 CSF1R (0.50) CSF1RKITHTTSMN1; SMN2
SCHEMBL7021815 0.73 AKT1 (0.56) RPS6KB1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888349-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2002-05-22 EP claimed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US claimed
EP-0888349-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-01-07 EP claimed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 WO claimed
EP-0888349-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2002-05-22 EP disclosed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US disclosed
EP-0888349-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 WO disclosed