SCHEMBL21592404

SCHEMBL21592404

COc1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.67
IL2 P60568 5/20 0.67
MAP3K11 Q16584 1/20 0.58
LCK P06239 1/20 0.54
MAP4K3 Q8IVH8 1/20 0.54
RPS6KA3 P51812 1/20 0.52
TNIK Q9UKE5 1/20 0.51

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
SCHEMBL21592574 0.88 MAP4K1 (0.78) MAP4K1IL2MAP3K11LCKMAP4K3
SCHEMBL21592483 0.85 MAP4K1 (0.64) MAP4K1IL2RPS6KA3TNIK
SCHEMBL21592491 0.85 MAP4K1 (0.75) MAP4K1IL2MAP3K11TNIK
SCHEMBL30290612 0.84 MAP4K1 (0.71) MAP4K1IL2LCKMAP4K3RPS6KA3
SCHEMBL28684672 0.84 MAP4K1 (0.71) MAP4K1IL2LCKMAP4K3RPS6KA3
Hydrochloric Acid SCHEMBL28905282 0.84 MAP4K1 (0.74) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592466 0.82 MAP4K1 (0.78) MAP4K1IL2MAP3K11LCKMAP4K3
SCHEMBL21592482 0.81 TNIK (0.59) MAP4K1IL2MAP3K11RPS6KA3TNIK
SCHEMBL21592486 0.81 MAP4K1 (0.72) MAP4K1IL2MAP3K11TNIK
SCHEMBL21592585 0.81 MAP4K1 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
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