SCHEMBL29897337

SCHEMBL29897337

CC1(C)OB(c2ccc3cc(N)ncc3c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.47
LIPG Q9Y5X9 10/20 0.47
PDPK1 O15530 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ABL1 P00519 2/20 0.40
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
SNCA P37840 1/20 0.36
DGAT1 O75907 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL9941723 1.00 LPL (0.47) LPLLIPGPDPK1IRAK4CA1
SCHEMBL19532044 0.94 LPL (0.43) LPLLIPGPDPK1IRAK4CA1
SCHEMBL1293460 0.82 LPL (0.62) LPLLIPGIRAK4CA1CA2
SCHEMBL29644319 0.82 LPL (0.62) LPLLIPGIRAK4CA1CA2
SCHEMBL7600427 0.79 LPL (0.55) LPLLIPGIRAK4SNCADGAT1
SCHEMBL101385 0.79 LPL (0.53) LPLLIPGIRAK4CA1CA2
SCHEMBL20967236 0.79 PDGFRB (0.38) LPLLIPGPDPK1SNCAPDGFRB
SCHEMBL2708689 0.78 LPL (0.59) LPLLIPGIRAK4CA1CA2
SCHEMBL4299809 0.78 LPL (0.59) LPLLIPGIRAK4CA1CA2
SCHEMBL1344397 0.78 KDR (0.43) LPLLIPGIRAK4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4051664-A1 ISOQUINOLINE DERIVATIVES AS SIK2 INHIBITORS Cancer Research Technology Limited (GB) 2022-09-07 EP disclosed