SCHEMBL1439795

SCHEMBL1439795

C=CCNC1CCCN(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
JAK1 P23458 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
EGFR P00533 1/20 0.35
ITK Q08881 1/20 0.35
KMT2A Q03164 1/20 0.35
BTK Q06187 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
SCHEMBL28431639 1.00 JAK3 (0.36) JAK3CA1CA2JAK1CA12
SCHEMBL1439214 0.79 MEN1 (0.48) CA1CA2KMT2A
SCHEMBL9937183 0.79 MEN1 (0.48) CA1CA2KMT2A
SCHEMBL19391801 0.79 L3MBTL1 (0.39) KMT2A
SCHEMBL2729026 0.79 CA1 (0.42) CA1CA2CA12CA9KMT2A
SCHEMBL2240702 0.79 CA1 (0.42) CA1CA2CA12CA9KMT2A
SCHEMBL1250472 0.78 ALDH1A1 (0.35) JAK3CA1CA2JAK1CA12
SCHEMBL28957283 0.78 ITGB3 (0.39) JAK3CA1CA2CA12CA9
SCHEMBL2730657 0.78 LMNA (0.46) CA1CA2CA12CA9KMT2A
SCHEMBL28957279 0.78 ITGB3 (0.39) JAK3CA1CA2CA12CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300172-A Bruton's tyrosine kinase inhibitors 比奥根MA公司 2021-02-02 CN disclosed
CN-107011330-B Bruton's tyrosine kinase inhibitors 比奥根MA公司 2020-07-03 CN disclosed
EP-2473049-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2012-07-11 EP disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed