SCHEMBL5253161

SCHEMBL5253161

Nc1ncnc(N)c1C#Cc1cccc(NC(=O)Cc2ccccc2)c1.O=C(Cl)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
CFD P00746 1/20 0.45
KMT2A Q03164 4/20 0.45
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 4/20 0.43
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
CSF1R P07333 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
PTPN11 Q06124 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 3/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
NTRK1 P04629 1/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL4716848 0.95 LMNA (0.59) LMNACFDKMT2AEPHX2ALDH1A1
SCHEMBL4717158 0.83 NLRP3 (0.56) LMNAKMT2AEPHX2KDRMEN1
SCHEMBL4716827 0.82 PDGFRB (0.55) LMNAKMT2AALDH1A1USP2CSF1R
SCHEMBL4717797 0.82 MEN1 (0.57) LMNAKMT2AALDH1A1SMN1; SMN2KDR
SCHEMBL4717546 0.82 LMNA (0.62) LMNACFDKMT2AEPHX2ALDH1A1
SCHEMBL4719226 0.81 KDR (0.58) LMNAKMT2AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL3576758 0.80 KDR (0.52) SMN1; SMN2AURKARPS6KB1AURKBPTPN11
SCHEMBL4719248 0.80 PTPN11 (0.50) KMT2AALDH1A1SMN1; SMN2AURKARPS6KB1
SCHEMBL6101866 0.80 LMNA (0.76) LMNACFDKMT2AEPHX2ALDH1A1
SCHEMBL4718064 0.79 SMN1; SMN2 (0.57) LMNAKMT2ASMN1; SMN2CSF1RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed