SCHEMBL21592953

SCHEMBL21592953

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CCN(C)C)cc4)c3c2)ccc1C1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.54
TNIK Q9UKE5 4/20 0.49
MAP3K11 Q16584 5/20 0.48
IL2 P60568 1/20 0.46
PIK3CG P48736 2/20 0.44
CAMKK2 Q96RR4 1/20 0.43
SGK1 O00141 1/20 0.42

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 0.90 MAP4K1 (0.59) MAP4K1TNIKMAP3K11IL2PIK3CG
SCHEMBL21592948 0.89 MAP4K1 (0.59) MAP4K1TNIKMAP3K11IL2CAMKK2
SCHEMBL21592521 0.85 MAP4K1 (0.60) MAP4K1TNIKMAP3K11IL2PIK3CG
SCHEMBL21592872 0.85 MAP4K1 (0.54) MAP4K1TNIKMAP3K11IL2PIK3CG
SCHEMBL21592717 0.84 MAP4K1 (0.72) MAP4K1TNIKMAP3K11PIK3CGCAMKK2
SCHEMBL21593006 0.83 MAP4K1 (0.73) MAP4K1TNIKMAP3K11IL2PIK3CG
SCHEMBL28597683 0.82 MAP4K1 (0.59) MAP4K1TNIKMAP3K11CAMKK2SGK1
SCHEMBL28604467 0.82 MAP4K1 (0.56) MAP4K1TNIKMAP3K11PIK3CGCAMKK2
SCHEMBL21592623 0.82 MAP4K1 (0.60) MAP4K1TNIKMAP3K11IL2CAMKK2
SCHEMBL21592808 0.82 MAP4K1 (0.60) MAP4K1TNIKMAP3K11IL2PIK3CG

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