SCHEMBL21592976

SCHEMBL21592976

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3c2)ccc1C1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.60
IL2 P60568 4/20 0.60
TNIK Q9UKE5 1/20 0.55
MAP3K11 Q16584 2/20 0.54
ABL1 P00519 2/20 0.52
DYRK1A Q13627 2/20 0.49
KIT P10721 2/20 0.49
AAK1 Q2M2I8 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48

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
SCHEMBL21593027 0.89 MAP4K1 (0.59) MAP4K1IL2TNIKMAP3K11CAMKK2
SCHEMBL21592788 0.88 MAP4K1 (0.58) MAP4K1IL2TNIKMAP3K11CAMKK2
SCHEMBL21593028 0.88 MAP4K1 (0.59) MAP4K1IL2MAP3K11DYRK1AKIT
SCHEMBL21592771 0.87 MAP4K1 (0.56) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL21592905 0.86 MAP4K1 (0.57) MAP4K1IL2TNIKMAP3K11ABL1
SCHEMBL21592554 0.85 MAP4K1 (0.53) MAP4K1IL2TNIKMAP3K11ABL1
SCHEMBL21592637 0.85 MAP4K1 (0.59) MAP4K1IL2TNIKMAP3K11ABL1
SCHEMBL28510042 0.85 MAP4K1 (0.66) MAP4K1IL2MAP3K11DYRK1AKIT
SCHEMBL21592682 0.84 MAP4K1 (0.60) MAP4K1IL2TNIKMAP3K11ABL1
SCHEMBL21593030 0.83 MAP4K1 (0.58) MAP4K1IL2TNIKMAP3K11ABL1

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