SCHEMBL22658662

SCHEMBL22658662

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1sc(-c3ccccc3)nc1C(=O)N2C

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 15/20 0.81
▸ PLK1 P53350 1/20 0.81
▸ LRRK2 Q5S007 5/20 0.72
▸ MAPK7 Q13164 4/20 0.72
▸ DCLK1 O15075 4/20 0.68
▸ GAK O14976 1/20 0.61
▸ BRD4 O60885 1/20 0.61
▸ TNK2 Q07912 1/20 0.61
▸ TNK1 Q13470 1/20 0.61
▸ DCLK2 Q8N568 1/20 0.61

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
SCHEMBL29517467 1.00 PTK2 (0.81) PTK2PLK1LRRK2MAPK7DCLK1
SCHEMBL29767861 0.90 PTK2 (1.00) PTK2PLK1LRRK2MAPK7
SCHEMBL29517502 0.88 PTK2 (1.00) PTK2PLK1LRRK2MAPK7DCLK1
SCHEMBL29517755 0.88 PTK2 (1.00) PTK2PLK1LRRK2MAPK7DCLK1
SCHEMBL22658904 0.87 PTK2 (1.00) PTK2PLK1LRRK2MAPK7DCLK1
SCHEMBL29517547 0.87 PTK2 (1.00) PTK2PLK1LRRK2MAPK7DCLK1
SCHEMBL22658775 0.87 PTK2 (0.94) PTK2PLK1LRRK2DCLK1
SCHEMBL29517311 0.87 PTK2 (0.94) PTK2PLK1LRRK2DCLK1
SCHEMBL616301 0.84 LRRK2 (1.00) PTK2PLK1LRRK2MAPK7DCLK1
SCHEMBL29517325 0.83 PTK2 (1.00) PTK2PLK1

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-2020231726-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 — — WO disclosed
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