SCHEMBL4199489

SCHEMBL4199489

CNC1=NC=CC(CC#N)N1c1nc2ccccc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 3/20 0.34
APP P05067 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
RECQL P46063 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL6828604 0.89 IDO1 (0.37) KMT2AMEN1MAPK1RAB9ANPC1
SCHEMBL4187924 0.88 RAB9A (0.36) KMT2AMEN1MAPK1RAB9ANPC1
Acetonitrile SCHEMBL7707679 0.86 RAB9A (0.35) KMT2AMEN1MAPK1RAB9ANPC1
SCHEMBL4192273 0.85 MAPK9 (0.39) MAPK1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL7706938 0.85 KMT2A (0.37) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4187935 0.85 ILK (0.38) KMT2AMEN1MAPK1RAB9ANPC1
SCHEMBL4197422 0.85 SMN1; SMN2 (0.41) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7710186 0.85 MAPK10 (0.43) KMT2AMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL5613994 0.84 NPC1 (0.38) KMT2AMEN1MAPK1RAB9ANPC1
SCHEMBL4186367 0.84 ILK (0.37) POLBALDH1A1NPSR1HTTMAPT

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
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed