SCHEMBL7491908

SCHEMBL7491908

CCC(C)C(=O)Nc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.51
EGFR P00533 7/20 0.50
BRAF P15056 5/20 0.49
TNNI3K Q59H18 5/20 0.49
ERBB2 P04626 7/20 0.48
KDR P35968 5/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
AURKA O14965 1/20 0.44

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
SCHEMBL7497991 0.91 BRAF (0.55) RETEGFRBRAFTNNI3KERBB2
SCHEMBL7492858 0.87 RET (0.54) RETEGFRBRAFTNNI3KERBB2
SCHEMBL7492149 0.86 RET (0.56) RETEGFRBRAFTNNI3KERBB2
SCHEMBL7494933 0.86 EGFR (0.61) RETEGFRBRAFTNNI3KERBB2
SCHEMBL4764543 0.85 EGFR (0.54) RETEGFRBRAFTNNI3KERBB2
SCHEMBL4766993 0.85 BRAF (0.51) RETEGFRBRAFTNNI3KKDR
SCHEMBL4770085 0.85 HPGD (0.54) RETEGFRBRAFTNNI3KERBB2
SCHEMBL4764408 0.84 RET (0.52) RETEGFRBRAFTNNI3KERBB2
SCHEMBL7496884 0.84 BRAF (0.53) RETEGFRBRAFTNNI3KERBB2
SCHEMBL4764510 0.84 BRAF (0.53) RETEGFRBRAFTNNI3KERBB2

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 7 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
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
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