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Defactinib

Defactinib

SCHEMBL28419282

[2H]C([2H])([2H])N(c1nccnc1CNc1nc(Nc2ccc(C(=O)NC)cc2)ncc1C(F)(F)F)S(C)(=O)=O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTK2PTK2B

The experimentally established mechanism targets of Defactinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 known ✓ Q05397 20/20 0.89
▸ PTK2B known ✓ Q14289 2/20 0.89
▸ AURKA O14965 1/20 0.89
▸ JAK2 O60674 1/20 0.89
▸ STK16 O75716 1/20 0.89
▸ CDKL5 O76039 1/20 0.89
▸ LATS1 O95835 1/20 0.89
▸ PAK4 O96013 1/20 0.89
▸ ABL1 P00519 1/20 0.89
▸ NTRK1 P04629 1/20 0.89
▸ CDK1 P06493 1/20 0.89
▸ LYN P07948 1/20 0.89
▸ RET P07949 1/20 0.89
▸ ADORA3 P0DMS8 1/20 0.89
▸ FER P16591 1/20 0.89
▸ FLT1 P17948 1/20 0.89
▸ ERCC2 P18074 1/20 0.89
▸ CSNK2A2 P19784 1/20 0.89
▸ CCNA2 P20248 1/20 0.89
▸ DRD1 P21728 1/20 0.89

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
Defactinib SCHEMBL23086796 0.95 PTK2 (0.89) PTK2PTK2BAURKAJAK2STK16
Defactinib SCHEMBL1627234 0.94 PTK2 (1.00) PTK2PTK2BAURKAJAK2STK16
Defactinib SCHEMBL1626017 0.94 PTK2 (0.98) PTK2PTK2BAURKAJAK2STK16
Defactinib SCHEMBL23701664 0.92 PTK2 (0.83) PTK2PTK2BAURKAJAK2STK16
Defactinib SCHEMBL23086969 0.92 PTK2 (0.83) PTK2PTK2BAURKAJAK2STK16
SCHEMBL28423323 0.91 PTK2 (0.89) PTK2PTK2BAURKAJAK2STK16
SCHEMBL31653624 0.86 PTK2 (0.86) PTK2PTK2BAURKAJAK2STK16
SCHEMBL26126341 0.86 PTK2 (0.86) PTK2PTK2BAURKAJAK2STK16
SCHEMBL29853474 0.85 PTK2 (1.00) PTK2PTK2BAURKAJAK2STK16
SCHEMBL1627066 0.85 PTK2 (1.00) PTK2PTK2BAURKAJAK2STK16

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-111377871-B FAK inhibitor and combined medicine thereof 海创药业股份有限公司 2021-03-19 — — CN disclosed
CN-111377871-A FAK inhibitor and combined medicine thereof 成都海创药业有限公司 2020-07-07 — — CN disclosed