SCHEMBL17916738

SCHEMBL17916738

CN1CC(Nc2cnn(C)c(=O)c2Cl)C[C@H](c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 20/20 1.00
▸ BRD9 Q9H8M2 3/20 1.00
▸ KAT2A Q92830 2/20 0.77
▸ BPTF Q12830 2/20 0.77
▸ BRD1 O95696 1/20 0.77
▸ ACHE P22303 1/20 0.77
▸ BRPF1 P55201 1/20 0.77
▸ BRD7 Q9NPI1 1/20 0.77
▸ BAZ2B Q9UIF8 1/20 0.77
▸ BRPF3 Q9ULD4 1/20 0.77

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
SCHEMBL23682875 1.00 KAT2B (1.00) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL25049813 1.00 KAT2B (1.00) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL17912355 1.00 KAT2B (1.00) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL23718084 1.00 KAT2B (1.00) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830592 0.89 KAT2B (0.79) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL20805680 0.88 KAT2B (0.78) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830640 0.87 KAT2B (0.77) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL30830497 0.87 KAT2B (0.77) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL23682859 0.87 KAT2B (1.00) KAT2BBRD9KAT2ABPTFBRD1
SCHEMBL23682853 0.87 KAT2B (1.00) KAT2BBRD9KAT2ABPTFBRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016112298-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-07-14 — — WO disclosed
Send feedback