SCHEMBL22658378

SCHEMBL22658378

CCCN1c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)ncc2N(C)C(=O)c2nc(C)sc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 19/20 1.00
▸ PLK1 P53350 1/20 0.85
▸ MAPK7 Q13164 1/20 0.65
▸ LRRK2 Q5S007 1/20 0.65

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
SCHEMBL29517373 1.00 PTK2 (1.00) PTK2PLK1MAPK7LRRK2
SCHEMBL22658498 0.95 PTK2 (1.00) PTK2PLK1MAPK7LRRK2
SCHEMBL29767861 0.92 PTK2 (1.00) PTK2PLK1MAPK7LRRK2
SCHEMBL29517224 0.92 PTK2 (1.00) PTK2PLK1MAPK7LRRK2
SCHEMBL22658775 0.89 PTK2 (0.94) PTK2PLK1LRRK2
SCHEMBL29517311 0.89 PTK2 (0.94) PTK2PLK1LRRK2
SCHEMBL29767867 0.89 PTK2 (1.00) PTK2PLK1MAPK7LRRK2
SCHEMBL29517755 0.86 PTK2 (1.00) PTK2PLK1MAPK7LRRK2
SCHEMBL29517325 0.85 PTK2 (1.00) PTK2PLK1
SCHEMBL29517502 0.83 PTK2 (1.00) PTK2PLK1MAPK7LRRK2

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
Send feedback