SCHEMBL1741047

SCHEMBL1741047

CN1C(C)(C)CC(Nc2nc(N)ncc2F)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.46
BCL6 P41182 1/20 0.40
KMT2A Q03164 1/20 0.39
KDR P35968 6/20 0.38
RET P07949 4/20 0.38
KIF5B P33176 4/20 0.38
ETV6 P41212 4/20 0.38
KCNH2 Q12809 4/20 0.38
CCDC6 Q16204 4/20 0.38
CYP3A4 P08684 1/20 0.36
SCN9A Q15858 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
CSNK2A2 P19784 2/20 0.33
CSNK2A1 P68400 2/20 0.33
JAK1 P23458 2/20 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
SCHEMBL431462 0.84 KMT2A (0.58) PRKCQBCL6KMT2AKDRRET
Hydrochloric Acid SCHEMBL430133 0.83 KMT2A (0.57) PRKCQBCL6KMT2AKDRRET
SCHEMBL1741322 0.82 BCL6 (0.41) PRKCQBCL6KMT2AKDRKCNH2
SCHEMBL27830729 0.79 RET (0.49) KDRRETKIF5BETV6KCNH2
SCHEMBL3497300 0.78 PRKCQ (0.59) PRKCQKDRAURKB
SCHEMBL3495009 0.77 PRKCQ (0.61) PRKCQKDRFLT3TYRO3MERTK
SCHEMBL3493194 0.77 PRKCQ (0.61) PRKCQKDRFLT3TYK2AURKB
SCHEMBL3497767 0.76 PRKCQ (0.62) PRKCQKDRFLT3TYK2AURKB
SCHEMBL3640879 0.75 AXL (0.43) KDRRETKIF5BETV6KCNH2
SCHEMBL3496512 0.75 PRKCQ (0.59) PRKCQBCL6KDRTYRO3MERTK

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