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Sugi Predict / Compounds / SCHEMBL21592886

SCHEMBL21592886

SCHEMBL21592886

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4Cl)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.54
▸ MAP4K1 Q92918 11/20 0.52
▸ IL2 P60568 4/20 0.52
▸ ABL1 P00519 2/20 0.51
▸ MAP3K11 Q16584 3/20 0.47
▸ KIT P10721 2/20 0.44
▸ DYRK1A Q13627 1/20 0.44

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
SCHEMBL28503607 0.91 MAP4K1 (0.54) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL28504703 0.91 MAP4K1 (0.54) MAP4K1IL2MAP3K11KITDYRK1A
SCHEMBL21592637 0.90 MAP4K1 (0.59) TNIKMAP4K1IL2ABL1MAP3K11
SCHEMBL21592870 0.83 MAP4K1 (0.59) TNIKMAP4K1IL2ABL1KIT
SCHEMBL21592804 0.82 MAP4K1 (0.55) TNIKMAP4K1IL2ABL1MAP3K11
SCHEMBL21592915 0.81 MAP4K1 (0.54) TNIKMAP4K1IL2MAP3K11KIT
SCHEMBL21592682 0.81 MAP4K1 (0.60) TNIKMAP4K1IL2ABL1MAP3K11
SCHEMBL21592763 0.81 MAP4K1 (0.55) TNIKMAP4K1IL2ABL1MAP3K11
SCHEMBL21592934 0.80 MAP4K1 (0.58) TNIKMAP4K1IL2KITDYRK1A
SCHEMBL21592647 0.80 MAP4K1 (0.62) TNIKMAP4K1IL2MAP3K11

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 — — WO disclosed