SCHEMBL6949387

SCHEMBL6949387

Cc1cccc(Nc2nc(Nc3ccc(C(=O)NCCCc4ncc[nH]4)cc3)ncc2Br)n1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 8/20 0.50
TBK1 Q9UHD2 2/20 0.45
NAMPT P43490 9/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL6952862 0.90 IGF1R (0.50) IGF1RTBK1NAMPTGSK3B
SCHEMBL6947662 0.88 GSK3B (0.58) IGF1RTBK1NAMPTGSK3B
SCHEMBL7853353 0.83 IGF1R (0.46) IGF1RTBK1GSK3B
SCHEMBL5263041 0.81 ALDH1A1 (0.54) IGF1RNAMPT
SCHEMBL5261586 0.81 IGF1R (0.48) IGF1RTBK1GSK3B
SCHEMBL5259735 0.79 BRAF (0.51) IGF1RGSK3B
SCHEMBL7007966 0.72 NAMPT (0.49) NAMPT
SCHEMBL6646546 0.71 NAMPT (0.56) NAMPT
SCHEMBL5259487 0.70 NPC1 (0.51) IGF1RNAMPT
SCHEMBL5261848 0.69 IGF1R (0.74) IGF1RGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525278-A 2003-08-26 JP claimed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP claimed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed