SCHEMBL3240119

SCHEMBL3240119

CN1CCN(c2ccc(Nc3cc(N4CCCC(NC(=O)c5ccc(C(C)(C)C)cn5)C4)ccn3)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.48
JAK3 P52333 2/20 0.48
EGFR P00533 8/20 0.47
HRH4 Q9H3N8 1/20 0.44
BTK Q06187 4/20 0.43
ALK Q9UM73 3/20 0.42
ROS1 P08922 2/20 0.42
CCNK O75909 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKCI P41743 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL3232842 0.92 ROS1 (0.43) LCKJAK3EGFRHRH4BTK
SCHEMBL3242367 0.90 LCK (0.48) LCKJAK3EGFRHRH4BTK
SCHEMBL3263743 0.85 LCK (0.40) LCKJAK3EGFRHRH4BTK
SCHEMBL3263746 0.85 LCK (0.40) LCKJAK3EGFRHRH4BTK
SCHEMBL3236597 0.82 BTK (0.43) LCKJAK3EGFRBTKCCND3
SCHEMBL3263927 0.73 EGFR (0.42) LCKJAK3EGFRBTK
SCHEMBL3263930 0.73 EGFR (0.42) LCKJAK3EGFRBTK
SCHEMBL28322975 0.69 JAK3 (0.72) LCKJAK3EGFRBTK
SCHEMBL3263610 0.69 BTK (0.46) LCKJAK3EGFRBTKKMT2A
SCHEMBL3263603 0.69 BTK (0.46) LCKJAK3EGFRBTKKMT2A

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
WO-2010068806-A1 AMIDE DERIVATIVES AS BTK INHIBITORS IN THE TREATMENT OF ALLERGIC, AUTOIMMUNE AND INFLAMMATORY DISORDERS AS WELL AS CANCER CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed