SCHEMBL3789609

SCHEMBL3789609

CC1(C)C(=O)NCCN1CCOc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.65
BRD4 O60885 13/20 0.42
KCNH2 Q12809 3/20 0.41
CCL2 P13500 2/20 0.33
TAF1 P21675 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
TAF1L Q8IZX4 1/20 0.32
CREBBP Q92793 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
SCN9A Q15858 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 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
SCHEMBL3077124 0.82 AR (0.75) ARBRD4KCNH2HRH3HTR1A
SCHEMBL3067169 0.81 AR (0.67) ARBRD4KCNH2CCL2HTR1A
SCHEMBL24592117 0.81 AR (0.81) ARBRD4KCNH2HRH3HTR1A
SCHEMBL3077371 0.81 AR (0.75) ARBRD4KCNH2CCL2TAF1
SCHEMBL3068954 0.80 AR (0.72) ARBRD4KCNH2HRH3HTR1A
SCHEMBL3075089 0.80 AR (0.69) ARBRD4KCNH2HRH3HTR1A
SCHEMBL3068554 0.80 AR (0.67) ARBRD4KCNH2CCL2TAF1
SCHEMBL3069348 0.80 AR (0.67) ARBRD4KCNH2CCL2TAF1
SCHEMBL3065313 0.80 AR (0.68) ARBRD4KCNH2HRH3HTR1A
SCHEMBL3071341 0.80 AR (0.66) ARBRD4KCNH2

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-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP claimed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO claimed