SCHEMBL17200137

SCHEMBL17200137

Cc1ccc2cccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 2/20 0.54
MAPT P10636 5/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.49
PTGS2 P35354 1/20 0.47
EGFR P00533 1/20 0.47
USP2 O75604 1/20 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
SCHEMBL25296198 0.76 TSHR (0.50) POLBLMNAHTTMAPTKMT2A
SCHEMBL11900604 0.74 LMNA (0.64) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL3500290 0.72 LMNA (0.61) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL29345120 0.72 POLB (0.58) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL11810697 0.71 LMNA (1.00) POLBLMNASMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL31046342 0.70 POLB (0.59) POLBLMNASMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL31046243 0.69 POLB (0.55) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL11812589 0.69 LMNA (0.94) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL1309697 0.69 PIK3CA (0.52) POLBLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL11895982 0.69 GAA (0.44) POLBSMN1; SMN2HTTMAPTKMT2A

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-2473486-B2 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2021-09-22 EP disclosed
EP-2473486-B1 PYRIMIDINES AS HEPCIDINE ANTAGONISTS VIFOR INT AG (CH) 2015-10-28 EP disclosed