SCHEMBL6589079

SCHEMBL6589079

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.35
MAP2K7 O14733 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CSNK1D P48730 1/20 0.32
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
POLB P06746 2/20 0.31
TP53 P04637 1/20 0.31
KDR P35968 1/20 0.31
RAF1 P04049 3/20 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 0.88 MAP2K4 (0.35) MAP2K4MAP2K7MAPTPDE5APDE1A
SCHEMBL6591549 0.86 GAA (0.37) MAP2K4MAPTAURKAALDH1A1GAA
SCHEMBL6585445 0.85 MAP2K4 (0.35) MAP2K4MAP2K7
SCHEMBL6586649 0.85 KIF11 (0.38) MAP2K4MAP2K7KDRRAF1BRAF
SCHEMBL6587159 0.85 MET (0.37) MAP2K7MAPTNPC1RAB9APDE5A
SCHEMBL6591727 0.85 MAP2K7 (0.38) MAP2K4MAP2K7NPC1RAB9APDE5A
SCHEMBL6587748 0.81 GAA (0.36) MAP2K7MAPTTP53KDRAURKA
SCHEMBL6592076 0.81 PDE5A (0.33) MAP2K7PDE5APDE1APDE1BPDE3B
SCHEMBL6588565 0.81 PDE5A (0.34) MAP2K7PDE5APDE1APDE1BPDE3B
SCHEMBL2957607 0.80 L3MBTL1 (0.46) MAPTALDH1A1

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