SCHEMBL6587091

SCHEMBL6587091

Cc1[nH]nc(-c2cccc(NC(=O)NCc3ccccc3)c2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.50
MAPK1 P28482 4/20 0.48
ROCK2 O75116 2/20 0.48
PRKCA P17252 1/20 0.48
GRK2 P25098 1/20 0.48
KDR P35968 1/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
ITK Q08881 1/20 0.48
ROCK1 Q13464 1/20 0.47
BRAF P15056 1/20 0.47
AURKA O14965 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL6591221 0.91 SMN1; SMN2 (0.54) MAPK1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6585359 0.89 NPC1 (0.61) MAPK1ROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL6587933 0.88 RAB9A (0.48) MAPK1RAB9ANPC1MEN1KMT2A
SCHEMBL6586589 0.85 SMN1; SMN2 (0.56) MAPK1ROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL6585821 0.85 BRAF (0.47) MAPK1ROCK2RAB9ANPC1SMN1; SMN2
SCHEMBL6587400 0.79 FPR2 (0.56) MAPK1ROCK2RAB9ANPC1MEN1
SCHEMBL6590232 0.79 CNR1 (0.59) ROCK1
SCHEMBL2950542 0.79 L3MBTL1 (0.63) ROCK2KDRRAB9ANPC1SMN1; SMN2
SCHEMBL6590857 0.78 RAF1 (0.50) KITKDRSMN1; SMN2ROCK1BRAF
SCHEMBL6586829 0.77 MAPT (0.47) KITMAPK1KDRRAB9ANPC1

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-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed