SCHEMBL578960

SCHEMBL578960

CN1CCC(N(C)C(=O)c2ccc(Nc3cc(N[C@@H]4CCC[C@@H]4C(=O)NCCF)c(C(F)(F)F)cn3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ PTK2 Q05397 4/20 0.40
▸ JAK2 O60674 12/20 0.38
▸ JAK1 P23458 12/20 0.38
▸ PTK2B Q14289 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ HPGD P15428 1/20 0.35

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 0.89 MAPK9 (0.47) MAPK9MAPK10PTK2JAK2JAK1
SCHEMBL579114 0.86 PTK2 (0.57) PTK2PTK2BJAK3SYK
SCHEMBL4196615 0.84 PTK2 (0.55) PTK2PTK2BJAK3SYK
SCHEMBL579387 0.84 MAPK9 (0.44) MAPK9MAPK10PTK2JAK2JAK1
SCHEMBL579090 0.82 MAPK9 (0.41) MAPK9MAPK10PTK2JAK2JAK1
SCHEMBL578813 0.80 PTK2 (0.56) PTK2PTK2BJAK3SYK
SCHEMBL13808235 0.80 PTK2 (0.56) PTK2PTK2BJAK3SYK
SCHEMBL578762 0.79 PTK2 (0.55) PTK2PTK2BJAK3SYK
SCHEMBL2321631 0.79 PTK2 (0.55) PTK2PTK2BJAK3SYK
SCHEMBL13808268 0.79 PTK2 (0.56) PTK2PTK2BJAK3SYK

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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