SCHEMBL13815740

SCHEMBL13815740

COC1CCC(Nc2cc(F)c(Oc3ncc(Cn4nccn4)cc3C(F)(F)F)cc2C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 2/20 0.38
▸ PRKCD Q05655 2/20 0.38
▸ LRRK2 Q5S007 5/20 0.37
▸ PTK2 Q05397 3/20 0.35
▸ GPR6 P46095 3/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ BRAF P15056 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ TYK2 P29597 1/20 0.32
▸ DHODH Q02127 1/20 0.32

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
SCHEMBL11991542 0.94 PRKCQ (0.38) PRKCQPRKCDLRRK2PTK2GPR6
SCHEMBL11991544 0.87 PTK2 (0.37) PRKCQPRKCDLRRK2PTK2BRAF
SCHEMBL13947015 0.87 PTK2 (0.38) LRRK2PTK2IRAK4BRAFKDR
SCHEMBL11922630 0.82 SCN9A (0.33) LRRK2PTK2IRAK4DHODH
SCHEMBL11922636 0.82 PTK2 (0.39) LRRK2PTK2GPR6IRAK4
SCHEMBL11991485 0.80 — —
SCHEMBL11991547 0.78 PTGER1 (0.30) —
SCHEMBL13044755 0.78 CFTR (0.46) PTK2PIK3CA
SCHEMBL11922595 0.77 PTK2 (0.34) LRRK2PTK2IRAK4PIK3CA
SCHEMBL13815822 0.76 — —

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
WO-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — WO disclosed
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