SCHEMBL579387

SCHEMBL579387

CCC(=O)N[C@H]1CCCC[C@H]1Nc1cc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ PTK2 Q05397 5/20 0.42
▸ JAK2 O60674 13/20 0.40
▸ JAK1 P23458 13/20 0.40
▸ JAK3 P52333 1/20 0.39
▸ PTK2B Q14289 1/20 0.38

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
SCHEMBL578706 0.87 MAPK9 (0.47) MAPK9MAPK10PTK2JAK2JAK1
SCHEMBL578969 0.85 PTK2 (0.60) PTK2JAK3PTK2B
SCHEMBL578724 0.84 PTK2 (0.62) PTK2JAK3PTK2B
SCHEMBL578960 0.84 MAPK9 (0.41) MAPK9MAPK10PTK2JAK2JAK1
SCHEMBL579090 0.80 MAPK9 (0.41) MAPK9MAPK10PTK2JAK2JAK1
SCHEMBL13808278 0.77 PTK2 (0.57) PTK2JAK3PTK2B
SCHEMBL4287586 0.77 PTK2 (0.58) PTK2JAK3PTK2B
SCHEMBL4287587 0.77 PTK2 (0.58) PTK2JAK3PTK2B
SCHEMBL13808291 0.76 PTK2 (0.60) PTK2JAK3PTK2B
SCHEMBL578774 0.76 PTK2 (0.58) PTK2JAK3PTK2B

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
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 — — EP claimed
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