SCHEMBL4764408

SCHEMBL4764408

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.52
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
EGFR P00533 6/20 0.49
BRAF P15056 4/20 0.48
TNNI3K Q59H18 4/20 0.48
SRC P12931 1/20 0.47
ERBB2 P04626 7/20 0.47
KDR P35968 5/20 0.47
CDK1 P06493 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46

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
SCHEMBL4766993 0.90 BRAF (0.51) RETEGFRBRAFTNNI3KSRC
SCHEMBL7496084 0.89 BRAF (0.49) RETLMNAEGFRBRAFTNNI3K
SCHEMBL4770085 0.89 HPGD (0.54) RETEGFRBRAFTNNI3KSRC
SCHEMBL4764510 0.88 BRAF (0.53) RETLMNAMAPK1EGFRBRAF
SCHEMBL7492149 0.87 RET (0.56) RETEGFRBRAFTNNI3KERBB2
SCHEMBL7497991 0.86 BRAF (0.55) RETEGFRBRAFTNNI3KSRC
SCHEMBL7494933 0.84 EGFR (0.61) RETEGFRBRAFTNNI3KSRC
SCHEMBL7491908 0.84 RET (0.51) RETEGFRBRAFTNNI3KERBB2
SCHEMBL7492858 0.84 RET (0.54) RETEGFRBRAFTNNI3KERBB2
SCHEMBL7496884 0.83 BRAF (0.53) RETEGFRBRAFTNNI3KSRC

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-0938486-B1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2008-01-16 EP claimed
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US claimed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP claimed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO claimed
EP-0938486-B1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2008-01-16 EP disclosed
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US disclosed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP disclosed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO disclosed