SCHEMBL6585445

SCHEMBL6585445

Cc1[nH]nc(-c2cccc(NN(C=O)c3ccc(C#N)cc3)c2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.35
LRRK2 Q5S007 7/20 0.35
DHODH Q02127 1/20 0.34
GSK3A P49840 2/20 0.34
MARK3 P27448 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ATM Q13315 1/20 0.32
TTK P33981 1/20 0.32
MAPK8 P45983 1/20 0.32
FASN P49327 1/20 0.32
KIT P10721 1/20 0.32
PDGFRA P16234 1/20 0.32
MAP2K7 O14733 1/20 0.32
MAP4K4 O95819 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL6585177 0.87 MAP2K4 (0.35) MAP2K4KITMAP2K7
SCHEMBL6589079 0.85 MAP2K4 (0.35) MAP2K4MAP2K7
SCHEMBL6591549 0.85 GAA (0.37) MAP2K4TTKMAPK8
SCHEMBL6586649 0.84 KIF11 (0.38) MAP2K4DHODHGSK3AMARK3CCNC
SCHEMBL6591727 0.84 MAP2K7 (0.38) MAP2K4KITPDGFRAMAP2K7
SCHEMBL6587707 0.83 TTK (0.35) LRRK2GSK3AMARK3ATMTTK
SCHEMBL6587159 0.82 MET (0.37) CDK8ATMKITPDGFRAMAP2K7
SCHEMBL6587748 0.80 GAA (0.36) LRRK2TTKMAP2K7
SCHEMBL2950498 0.80 L3MBTL1 (0.45) GSK3AMARK3AR
SCHEMBL6588565 0.80 PDE5A (0.34) MAP2K7

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-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO 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