SCHEMBL3837577

SCHEMBL3837577

O=C(O)c1cc(F)cnc1Cl.O=C(O)c1cc(F)cnc1NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.43
KMT2A Q03164 2/20 0.42
HCAR3 P49019 2/20 0.40
OPRK1 P41145 1/20 0.40
CISD1 Q9NZ45 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MCHR1 Q99705 1/20 0.39
GPR6 P46095 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL871750 0.92 JAK2 (0.46) JAK2KMT2AHCAR3OPRK1
SCHEMBL15635529 0.90 JAK2 (0.46) JAK2KMT2AHCAR3OPRK1MCHR1
SCHEMBL3837581 0.85 OPRK1 (0.43) JAK2KMT2AOPRK1MCHR1GPR6
SCHEMBL4100544 0.81 HCAR3 (0.38) JAK2HCAR3OPRK1GPR6ALDH1A1
SCHEMBL17110968 0.80 MAPK8 (0.43) JAK2HCAR3
SCHEMBL290570 0.79 KEAP1 (0.53) CA1CA2ALDH1A1DHODH
SCHEMBL31349524 0.79 KEAP1 (0.53) CA1CA2ALDH1A1DHODH
SCHEMBL27598069 0.79 KEAP1 (0.53) CA1CA2ALDH1A1DHODH
SCHEMBL17363149 0.79 MCHR1 (0.56) JAK2HCAR3OPRK1CISD1CA12
SCHEMBL870326 0.79 SSTR4 (0.46) JAK2OPRK1

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-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed