SCHEMBL7499430

SCHEMBL7499430

C[C@H](Nc1ncnc2[nH]c(-c3ccc(N)cc3)cc12)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.86
CSF1R P07333 1/20 0.76
KDR P35968 2/20 0.72
HDAC3 O15379 1/20 0.72
HDAC4 P56524 1/20 0.72
HDAC1 Q13547 1/20 0.72
HDAC7 Q8WUI4 1/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC10 Q969S8 1/20 0.72
HDAC11 Q96DB2 1/20 0.72
HDAC8 Q9BY41 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
HDAC9 Q9UKV0 1/20 0.72
HDAC5 Q9UQL6 1/20 0.72

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
SCHEMBL4766237 1.00 EGFR (0.86) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4766235 1.00 EGFR (0.86) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL12308303 0.91 EGFR (0.86) EGFRCSF1RKDRHDAC3HDAC4
Pki-166 SCHEMBL185822 0.89 EGFR (1.00) EGFRCSF1RKDRHDAC3HDAC4
Pki-166 SCHEMBL29352405 0.89 EGFR (1.00) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4806301 0.89 EGFR (0.84) EGFRCSF1RKDRHDAC3HDAC4
Pki-166 SCHEMBL9973098 0.89 EGFR (1.00) EGFRCSF1RKDRHDAC3HDAC4
Pki-166 SCHEMBL209560 0.89 EGFR (1.00) EGFRCSF1RKDRHDAC3HDAC4
Pki-166 SCHEMBL30883827 0.89 EGFR (1.00) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4767020 0.88 EGFR (0.82) EGFRCSF1RKDRHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP claimed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP claimed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO claimed
CN-1100778-C Pyrrolopyrimidines and process for their preparation NOVARTIS CO (CH) 2003-02-05 CN disclosed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 US disclosed
CN-1194647-A Pyrrolopyrimidines and processes for preparation thereof NOVARTIS CO (CH) 1998-09-30 CN disclosed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO disclosed