SCHEMBL21592479

SCHEMBL21592479

CC(c1ccc(-c2c[nH]c3ncc(-c4ccc(N5CCN(C)CC5)cc4)cc23)cc1)N(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.64
IL2 P60568 5/20 0.64
TNIK Q9UKE5 5/20 0.53
RPS6KA3 P51812 1/20 0.51
MAP3K11 Q16584 3/20 0.51
CLK1 P49759 1/20 0.48
DYRK1A Q13627 1/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
ABL1 P00519 1/20 0.48
INSR P06213 1/20 0.48
CDK2 P24941 1/20 0.48
FLT3 P36888 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
SCHEMBL21592567 0.88 MAP4K1 (0.66) MAP4K1IL2TNIKRPS6KA3MAP3K11
SCHEMBL21592461 0.87 MAP4K1 (0.65) MAP4K1IL2TNIKRPS6KA3MAP3K11
SCHEMBL21592506 0.86 MAP4K1 (0.68) MAP4K1IL2TNIKMAP3K11IKBKB
SCHEMBL21592458 0.85 MAP4K1 (0.63) MAP4K1IL2TNIKRPS6KA3MAP3K11
SCHEMBL21592450 0.84 MAP4K1 (0.72) MAP4K1IL2TNIKCLK1DYRK1A
SCHEMBL21592486 0.84 MAP4K1 (0.72) MAP4K1IL2TNIKMAP3K11CLK1
SCHEMBL21592423 0.84 MAP4K1 (0.72) MAP4K1IL2TNIKMAP3K11CLK1
SCHEMBL21592503 0.83 MAP4K1 (0.71) MAP4K1IL2TNIKMAP3K11CLK1
SCHEMBL21592477 0.83 TNIK (0.74) MAP4K1IL2TNIKMAP3K11IKBKB
SCHEMBL21592501 0.83 MAP4K1 (0.71) MAP4K1IL2TNIKRPS6KA3MAP3K11

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