SCHEMBL27702016

SCHEMBL27702016

CCCCc1cc(N)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.45
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
PTGS1 P23219 1/20 0.44
ALOX5 P09917 1/20 0.43
TLR7 Q9NYK1 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 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
SCHEMBL2364213 0.87 NPC1 (0.53) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL27742977 0.86 LMNA (0.49) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL27682759 0.85 NPC1 (0.49) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL27742972 0.85 NPC1 (0.51) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL19731925 0.85 MIF (0.46) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL27742966 0.85 CNR1 (0.61) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL27836801 0.85 CNR2 (0.45) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL27795718 0.84 CNR1 (0.44) CNR2CNR1MEN1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL27702328 0.84 NPC1 (0.48) CNR2CNR1MEN1NPC1RAB9A
SCHEMBL27702044 0.84 CNR2 (0.46) CNR2CNR1MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104945401-A IP compounds and their use in therapy CANCER REC TECH LTD 2015-09-30 CN disclosed
CN-102906090-B 1- (5-tert-butyl-2-phenyl-2H-pyrazol-3-yl) -3- [ 2-fluoro-4- (1-methyl-2-oxo-2, 3-dihydro-1H-imidazo [4,5-B ] pyridin-7-yloxy) -phenyl ] -urea and related compounds and their use in therapy CANCER REC TECH LTD 2015-06-24 CN disclosed
CN-102906090-A 1- (5-tert-butyl-2-phenyl-2H-pyrazol-3-yl) -3- [ 2-fluoro-4- (1-methyl-2-oxo-2, 3-dihydro-1H-imidazo [4,5-B ] pyridin-7-yloxy) -phenyl ] -urea and related compounds and their use in therapy CANCER REC TECH LTD 2013-01-30 CN disclosed
CN-102026985-A Quinazoline derivatives as RAF kinase modulators and methods and uses thereof AMBIT BIOSCIENCES CORPORATON 2011-04-20 CN disclosed
CN-101084217-B Imidazo [4,5-B] pyridin-2-ones and oxazolido [4,5-B] pyridin-2-ones and analogues thereof as therapeutic compounds CANCER REC TECH LTD 2010-10-13 CN disclosed
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 CN disclosed
CN-101084217-A Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER REC TECH LTD (GB) 2007-12-05 CN disclosed