SCHEMBL473458

SCHEMBL473458

CN(C1Cc2ccoc21)C(c1ccc(F)cc1)C1CCN(c2ncnc3[nH]nc(Br)c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 17/20 0.37
LRRK2 Q5S007 1/20 0.33
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL473326 0.79 RPS6KB1 (0.39) RPS6KB1LRRK2
SCHEMBL1791832 0.76 RPS6KB1 (0.39) RPS6KB1MAPT
SCHEMBL473394 0.76 RPS6KB1 (0.59) RPS6KB1
SCHEMBL473362 0.76 RPS6KB1 (0.39) RPS6KB1LRRK2
SCHEMBL473299 0.74 RPS6KB1 (0.65) RPS6KB1LRRK2
SCHEMBL15252580 0.71 AKT2 (0.41) RPS6KB1
SCHEMBL1791436 0.70 MAPT (0.58) LRRK2LMNAMAPT
SCHEMBL473316 0.70 AKT2 (0.41) RPS6KB1
SCHEMBL23532535 0.68 AKT2 (0.44) RPS6KB1
SCHEMBL10159660 0.67 OPRM1 (0.36) RPS6KB1LRRK2

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-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP claimed