SCHEMBL10159376

SCHEMBL10159376

CC(C)(N)c1ccc(CN2CCN(c3ncnc4[nH]nc(Br)c34)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.45
MEN1 O00255 10/20 0.42
KMT2A Q03164 9/20 0.42
CSF1R P07333 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
RECQL P46063 1/20 0.39
RBP4 P02753 1/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
HUWE1 Q7Z6Z7 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
SCHEMBL473397 0.94 AKT2 (0.44) RPS6KB1MEN1KMT2ACSF1RRECQL
SCHEMBL473361 0.91 RPS6KB1 (0.55) RPS6KB1MEN1KMT2ACSF1RALDH1A1
SCHEMBL473341 0.88 PDE10A (0.45) RPS6KB1MEN1KMT2ACSF1RALDH1A1
SCHEMBL473311 0.86 MEN1 (0.50) RPS6KB1MEN1KMT2ACSF1RALDH1A1
SCHEMBL473421 0.85 MEN1 (0.54) RPS6KB1MEN1KMT2ACSF1RALDH1A1
SCHEMBL473395 0.85 RECQL (0.54) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL473337 0.85 ALDH1A1 (0.44) RPS6KB1MEN1KMT2ACSF1RALDH1A1
SCHEMBL473290 0.85 MEN1 (0.55) RPS6KB1MEN1KMT2AALDH1A1HTT
SCHEMBL473294 0.84 RECQL (0.42) RPS6KB1MEN1KMT2ACSF1RALDH1A1
SCHEMBL473300 0.83 ALDH1A1 (0.51) MEN1KMT2ACSF1RALDH1A1HTT

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 disclosed