SCHEMBL123058

SCHEMBL123058

CCN(CC)C(C=O)N1CCC(c2c(CCCN3CCCC3)c(-c3ccc(Oc4ccc(Cl)c(Cl)c4)c(OC)c3)c3c(N)ncnn23)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.52
TNK2 Q07912 3/20 0.37
PIK3CD O00329 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
FLT1 P17948 3/20 0.31
FLT4 P35916 3/20 0.31
KDR P35968 3/20 0.31
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 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
SCHEMBL126057 0.85 BTK (0.56) BTKTNK2FLT1FLT4KDR
SCHEMBL175812 0.85 BTK (0.56) BTKTNK2
SCHEMBL12100608 0.83 BTK (0.57) BTKTNK2
SCHEMBL122066 0.78 BTK (0.56) BTKTNK2
SCHEMBL167469 0.78 BTK (0.64) BTKTNK2
SCHEMBL123836 0.77 BTK (0.48) BTKTNK2PIK3CDHTR2AHTR2C
SCHEMBL16332632 0.77 BTK (0.58) BTKTNK2
SCHEMBL123306 0.77 BTK (0.64) BTKTNK2PIK3CD
SCHEMBL176919 0.76 BTK (0.66) BTKTNK2PIK3CD
SCHEMBL123807 0.73 BTK (0.56) BTKTNK2PIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed