SCHEMBL6586649

SCHEMBL6586649

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
MAP3K5 Q99683 2/20 0.36
MAP2K4 P45985 2/20 0.35
IKBKB O14920 2/20 0.35
DHODH Q02127 2/20 0.34
RAF1 P04049 3/20 0.34
CLK2 P49760 2/20 0.33
KDR P35968 2/20 0.33
NTRK1 P04629 2/20 0.33
FLT3 P36888 2/20 0.33
CHEK1 O14757 1/20 0.33
JAK2 O60674 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33
CSF1R P07333 1/20 0.33
KIT P10721 1/20 0.33
FLT1 P17948 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 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
SCHEMBL6585177 0.89 MAP2K4 (0.35) MAP2K4KITAURKBMAP2K7
SCHEMBL6591549 0.85 GAA (0.37) MAP2K4CDK2AURKBCYP2D6CYP2C9
SCHEMBL6589079 0.85 MAP2K4 (0.35) MAP2K4RAF1KDRBRAFPFKFB3
SCHEMBL6585445 0.84 MAP2K4 (0.35) MAP2K4DHODHKITMARK3CCNC
SCHEMBL6591727 0.84 MAP2K7 (0.38) MAP2K4IKBKBKDRFLT3CHEK1
SCHEMBL6587159 0.82 MET (0.37) KDRKITROCK1NTRK2AURKB
SCHEMBL2956951 0.80 ALDH1A1 (0.46) KIF11MAP3K5NTRK1FLT3BRAF
SCHEMBL6587748 0.80 GAA (0.36) KDRPLK1MAP2K7
SCHEMBL6586014 0.80 PDE5A (0.33) MAP2K4CHEK1MAP2K7
SCHEMBL6588565 0.80 PDE5A (0.34) IKBKBCHEK1CYP2C9CYP2C19MAP2K7

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