SCHEMBL29517167

SCHEMBL29517167

CN1c2nc(Cl)ncc2NC(=O)c2nc(-c3ccccc3)sc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.34
▸ TNK2 Q07912 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ADK P55263 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ PTGDR2 Q9Y5Y4 3/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL22658823 1.00 PTK2 (0.34) PTK2TNK2KDM4EADKCDC7
SCHEMBL29517238 0.82 PTK2 (0.44) PTK2TNK2
SCHEMBL29517349 0.80 PTK2 (0.41) PTK2KDM4EADKALDH1A1PTGDR2
SCHEMBL22658579 0.80 PTK2 (0.41) PTK2KDM4EADKALDH1A1PTGDR2
SCHEMBL22658690 0.79 PTK2 (0.34) PTK2
SCHEMBL22658574 0.79 PTK2 (0.34) PTK2
SCHEMBL29517445 0.79 PTK2 (0.34) PTK2
SCHEMBL29517127 0.79 PTK2 (0.34) PTK2
SCHEMBL22658527 0.78 JUN (0.36) PTK2
SCHEMBL29517183 0.78 JUN (0.36) PTK2

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
CN-113811324-B Small molecule local Focal Adhesion Kinase (FAK) inhibitors 达纳-法伯癌症研究公司 2024-09-24 — — CN disclosed
EP-3965803-A1 SMALL-MOLECULE FOCAL ADHESION KINASE (FAK) INHIBITORS Dana-Farber Cancer Institute, Inc. (US) 2022-03-16 — — EP disclosed
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