SCHEMBL21592492

SCHEMBL21592492

CC(C)Oc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.68
IL2 P60568 5/20 0.68
MAP3K11 Q16584 2/20 0.59
TNIK Q9UKE5 4/20 0.54

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
Hydrochloric Acid SCHEMBL28509560 0.99 MAP4K1 (0.67) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592574 0.89 MAP4K1 (0.78) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592585 0.87 MAP4K1 (0.69) MAP4K1IL2MAP3K11TNIK
Hydrochloric Acid SCHEMBL28511021 0.86 MAP4K1 (0.68) MAP4K1IL2MAP3K11TNIK
SCHEMBL22971794 0.85 MAP3K11 (0.81) MAP4K1MAP3K11TNIK
SCHEMBL21592423 0.85 MAP4K1 (0.72) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592486 0.85 MAP4K1 (0.72) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592450 0.85 MAP4K1 (0.72) MAP4K1IL2TNIK
SCHEMBL21592567 0.85 MAP4K1 (0.66) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592501 0.84 MAP4K1 (0.71) MAP4K1IL2MAP3K11TNIK

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