SCHEMBL21592486

SCHEMBL21592486

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(N6CCCCC6)cc5)c4c3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.72
IL2 P60568 5/20 0.72
TNIK Q9UKE5 5/20 0.60
MAP3K11 Q16584 3/20 0.57
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
ABL1 P00519 1/20 0.53
INSR P06213 1/20 0.53
CDK2 P24941 1/20 0.53
FLT3 P36888 1/20 0.53
CLK1 P49759 2/20 0.53
DYRK1A Q13627 2/20 0.53
DYRK2 Q92630 1/20 0.53
DYRK1B Q9Y463 1/20 0.53

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
SCHEMBL21592450 0.91 MAP4K1 (0.72) MAP4K1IL2TNIKCLK1DYRK1A
SCHEMBL21592423 0.91 MAP4K1 (0.72) MAP4K1IL2TNIKMAP3K11IKBKB
SCHEMBL21592501 0.90 MAP4K1 (0.71) MAP4K1IL2TNIKMAP3K11CLK1
SCHEMBL21592477 0.90 TNIK (0.74) MAP4K1IL2TNIKMAP3K11IKBKB
SCHEMBL21592503 0.90 MAP4K1 (0.71) MAP4K1IL2TNIKMAP3K11CLK1
SCHEMBL28504588 0.89 MAP4K1 (0.70) MAP4K1IL2TNIKMAP3K11IKBKB
SCHEMBL21592498 0.88 MAP3K11 (0.65) MAP4K1IL2TNIKMAP3K11CLK1
SCHEMBL21592506 0.88 MAP4K1 (0.68) MAP4K1IL2TNIKMAP3K11IKBKB
SCHEMBL21592574 0.88 MAP4K1 (0.78) MAP4K1IL2TNIKMAP3K11DYRK1A
SCHEMBL21592458 0.88 MAP4K1 (0.63) MAP4K1IL2TNIKMAP3K11IKBKB

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