SCHEMBL1741322

SCHEMBL1741322

CC1(C)CC(Nc2nc(N)ncc2F)CC(C)(C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
MAPK14 Q16539 1/20 0.35
KCNH2 Q12809 2/20 0.34
JAK1 P23458 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
TYK2 P29597 2/20 0.34
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL10263031 0.84 KMT2A (0.40) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL429238 0.83 KMT2A (0.59) KMT2AALDH1A1TSHRLMNAMEN1
Hydrochloric Acid SCHEMBL431409 0.82 KMT2A (0.58) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL1741047 0.82 PRKCQ (0.46) BCL6KMT2AKCNH2JAK1TYK2
SCHEMBL429815 0.78 JAK1 (0.36) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL3496535 0.77 SYK (0.46) PRKCQAURKB
SCHEMBL13225991 0.76 KMT2A (0.54) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL31605258 0.75 MAPK14 (0.37) BCL6ALDH1A1MAPK14
SCHEMBL19174514 0.75 KMT2A (0.68) BCL6KMT2AMEN1JAK1KDM4E
SCHEMBL429823 0.74 CSNK2A2 (0.40) KMT2APRKCQJAK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US disclosed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed