SCHEMBL754963

SCHEMBL754963

CC(C)(C)C1CN(CCOc2ccc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CCN1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.72
AR P10275 4/20 0.72
KCNH2 Q12809 2/20 0.72
CCL2 P13500 1/20 0.46
TAF1 P21675 1/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
BRDT Q58F21 1/20 0.46
TAF1L Q8IZX4 1/20 0.46
CREBBP Q92793 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL3812251 0.96 BRD4 (0.67) BRD4ARKCNH2CCL2TAF1
SCHEMBL751075 0.87 BRD4 (0.79) BRD4ARKCNH2CCL2TAF1
SCHEMBL745792 0.87 BRD4 (0.79) BRD4ARKCNH2CCL2TAF1
SCHEMBL746988 0.84 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL3473630 0.84 BRD4 (0.81) BRD4ARKCNH2CCL2TAF1
SCHEMBL748087 0.83 BRD4 (0.83) BRD4ARKCNH2CCL2TAF1
SCHEMBL747361 0.82 BRD4 (0.84) BRD4ARKCNH2CCL2TAF1
SCHEMBL748540 0.81 BRD4 (0.94) BRD4ARKCNH2CCL2TAF1
SCHEMBL3474962 0.81 BRD4 (0.83) BRD4ARKCNH2CCL2TAF1
SCHEMBL745681 0.81 BRD4 (0.83) BRD4ARKCNH2CCL2TAF1

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-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed