SCHEMBL7295247

SCHEMBL7295247

CC(C)(C)c1ccc(C(=O)Nc2ccccc2C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GLA P06280 1/20 0.62
ATM Q13315 1/20 0.62
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NR1H4 Q96RI1 4/20 0.58
TRPV1 Q8NER1 1/20 0.56
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 3/20 0.55
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
PPARG P37231 1/20 0.52
KCNK9 Q9NPC2 1/20 0.51
DHPS P49366 2/20 0.51

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
SCHEMBL13210703 0.89 RAB9A (0.65) RAB9ANPC1L3MBTL1ALDH1A1GLA
SCHEMBL1343798 0.84 KDM4E (0.63) RAB9ANPC1L3MBTL1ALDH1A1GLA
SCHEMBL13988726 0.82 RAB9A (0.50) RAB9ANPC1L3MBTL1ALDH1A1GLA
SCHEMBL95300 0.82 RAB9A (0.58) RAB9ANPC1L3MBTL1ALDH1A1GLA
SCHEMBL8891802 0.82 KMT2A (0.70) RAB9ANPC1L3MBTL1ALDH1A1GLA
SCHEMBL13988328 0.81 NPC1 (0.49) RAB9ANPC1L3MBTL1ALDH1A1GLA
SCHEMBL3665349 0.81 RAB9A (0.54) RAB9ANPC1L3MBTL1ALDH1A1KMT2A
SCHEMBL5223315 0.81 RAB9A (0.73) RAB9ANPC1L3MBTL1ALDH1A1GLA
SCHEMBL4150112 0.79 KMT2A (0.55) RAB9ANPC1L3MBTL1CA1CA2
SCHEMBL13675881 0.79 TRPV1 (0.65) RAB9ANPC1L3MBTL1TRPV1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed