SCHEMBL4772643

SCHEMBL4772643

CCCCNC(=O)c1cnc(Cl)nc1N(CC)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.42
MERTK Q12866 6/20 0.42
AXL P30530 2/20 0.42
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA3 P07451 6/20 0.41
CA6 P23280 6/20 0.41
CA5A P35218 6/20 0.41
CA7 P43166 6/20 0.41
CA9 Q16790 6/20 0.41
CA14 Q9ULX7 6/20 0.41
CA5B Q9Y2D0 5/20 0.41
CA4 P22748 4/20 0.41
CA13 Q8N1Q1 4/20 0.41
HPGD P15428 3/20 0.40
GAS6 Q14393 5/20 0.40
FLT3 P36888 3/20 0.40
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6487618 0.83 JAK2 (0.38) JAK2
SCHEMBL28526131 0.69 OPRK1 (0.35) TSHR
SCHEMBL28909314 0.69 OPRK1 (0.38) JAK2
SCHEMBL28526521 0.69 ALDH1A1 (0.34) TSHRJAK2
SCHEMBL28534400 0.68 GAA (0.35) HPGDTSHRJAK2
SCHEMBL3546872 0.65 TRPV1 (0.32) TSHR
SCHEMBL13733958 0.65 JAK2 (0.47) JAK2
SCHEMBL22145328 0.65 LCK (0.42)
SCHEMBL10536742 0.64 NAAA (0.50)
SCHEMBL7489466 0.64 NFKB1 (0.59)

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-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed