SCHEMBL3458766

SCHEMBL3458766

Nc1ccnc(Nc2cccc(OCCN3CCCC3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.58
SRC P12931 5/20 0.55
YES1 P07947 1/20 0.55
HRH3 Q9Y5N1 1/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
AXL P30530 2/20 0.48
LTA4H P09960 2/20 0.48
PDGFRB P09619 1/20 0.48
EGFR P00533 2/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
BRD4 O60885 1/20 0.47
BACE1 P56817 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
INSR P06213 1/20 0.47

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
SCHEMBL3459161 0.90 SRC (0.57) AIMP2SRCEGFRABL1BCR
SCHEMBL4880015 0.87 AIMP2 (0.57) AIMP2SRCYES1HRH3CHRNB2
SCHEMBL3454379 0.86 AIMP2 (0.56) AIMP2SRCYES1HRH3AXL
SCHEMBL3459641 0.85 AIMP2 (0.50) AIMP2SRCYES1PDGFRBEGFR
SCHEMBL12190209 0.83 SRC (0.56) AIMP2SRCYES1HRH3CHRNB2
SCHEMBL13924599 0.81 SYK (0.65) AIMP2SRCYES1EGFRABL1
SCHEMBL3455091 0.80 SYK (0.61) EGFRPRKCDSCN5ASCN9A
SCHEMBL13924597 0.80 SYK (0.64) AIMP2SRCYES1HRH3EGFR
SCHEMBL19476605 0.80 IGF1R (0.58) AIMP2SRCYES1HRH3AXL
SCHEMBL270374 0.79 SRC (0.51) AIMP2SRCYES1HRH3CHRNB2

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-2154967-A1 PYRIMIDINE DERIVATIVES Hutchison Medipharma Enterprises Limited (BS) 2010-02-24 EP disclosed
WO-2008128231-A1 PYRIMIDINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2008-10-23 WO disclosed