SCHEMBL7279301

SCHEMBL7279301

Cc1nc(=O)c(C#N)c(NCCN2CCOCC2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 7/20 0.46
HPGD P15428 6/20 0.46
GAA P10253 6/20 0.46
TSHR P16473 3/20 0.46
CASP1 P29466 3/20 0.46
GLA P06280 2/20 0.46
TRIM33 Q9UPN9 1/20 0.42
NPY5R Q15761 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
HIF1A Q16665 1/20 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
SCHEMBL7282267 0.74 GAA (0.41) POLBLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7280348 0.67 HSD17B10 (0.48) POLBSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7289643 0.67 PDE4A (0.59) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL5773802 0.66 NPY5R (0.49) POLBMAPK1SMN1; SMN2LMNAKDM4E
SCHEMBL8551939 0.65 ALDH1A1 (0.48) POLBSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL20509943 0.65 POLB (0.51) POLBMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7281409 0.65 KMT2A (0.52) POLBSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7291598 0.64 KDM4E (0.47) SMN1; SMN2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL19956900 0.63 KDM4E (0.49) POLBMAPK1SMN1; SMN2LMNAKDM4E
SCHEMBL17344005 0.62 LMNA (0.84) POLBSMN1; SMN2LMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4505910-A Amino-pyrimidine derivatives, compositions and use AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-19 US claimed
EP-0130735-A1 Amino-pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-01-09 EP claimed
US-4505910-A Amino-pyrimidine derivatives, compositions and use AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-19 US disclosed
EP-0130735-A1 Amino-pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-01-09 EP disclosed