SCHEMBL19988067

SCHEMBL19988067

COc1nnc2ccc(N3CCC(c4ccc(OCCN5C(C)CN(C(C)=O)C[C@@H]5C)cc4)CC3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 1.00
CCL2 P13500 1/20 0.65
TAF1 P21675 1/20 0.65
BRD2 P25440 1/20 0.65
BRD3 Q15059 1/20 0.65
BRDT Q58F21 1/20 0.65
TAF1L Q8IZX4 1/20 0.65
CREBBP Q92793 1/20 0.65
BRD9 Q9H8M2 1/20 0.65
AR P10275 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL17477298 1.00 BRD4 (1.00) BRD4CCL2TAF1BRD2BRD3
SCHEMBL19137924 1.00 BRD4 (1.00) BRD4CCL2TAF1BRD2BRD3
SCHEMBL17477292 0.96 BRD4 (0.92) BRD4CCL2TAF1BRD2BRD3
SCHEMBL19137923 0.96 BRD4 (0.92) BRD4CCL2TAF1BRD2BRD3
SCHEMBL24630235 0.92 BRD4 (0.85) BRD4CCL2TAF1BRD2BRD3
SCHEMBL24630424 0.92 BRD4 (0.84) BRD4CCL2TAF1BRD2BRD3
SCHEMBL24630435 0.91 BRD4 (0.83) BRD4CCL2TAF1BRD2BRD3
SCHEMBL24630368 0.90 BRD4 (0.81) BRD4CCL2TAF1BRD2BRD3
SCHEMBL24630489 0.85 BRD4 (0.73) BRD4CCL2TAF1BRD2BRD3
SCHEMBL24927782 0.84 BRD4 (0.73) BRD4CCL2TAF1BRD2BRD3

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-3174881-B1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2018-03-28 EP claimed
EP-3174881-B1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2018-03-28 EP disclosed