SCHEMBL21592873

SCHEMBL21592873

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C5CCOCC5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.59
MAP3K11 Q16584 3/20 0.47
PIK3CG P48736 4/20 0.47
TNIK Q9UKE5 1/20 0.46
IL2 P60568 3/20 0.44
NTRK1 P04629 2/20 0.43
CAMKK2 Q96RR4 1/20 0.42
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
SCHEMBL21593053 0.95 MAP4K1 (0.58) MAP4K1MAP3K11PIK3CGTNIKCAMKK2
SCHEMBL21592762 0.94 MAP4K1 (0.64) MAP4K1MAP3K11PIK3CGTNIKIL2
SCHEMBL21592918 0.94 MAP4K1 (0.65) MAP4K1MAP3K11PIK3CGTNIKIL2
SCHEMBL21593044 0.92 MAP4K1 (0.60) MAP4K1MAP3K11PIK3CGTNIKIL2
SCHEMBL21592865 0.90 MAP4K1 (0.67) MAP4K1MAP3K11PIK3CGTNIKIL2
SCHEMBL21593045 0.89 MAP4K1 (0.58) MAP4K1MAP3K11PIK3CGTNIKIL2
SCHEMBL21593041 0.89 MAP4K1 (0.58) MAP4K1MAP3K11PIK3CGTNIKIL2
SCHEMBL28511249 0.89 MAP4K1 (0.58) MAP4K1MAP3K11PIK3CGTNIKIL2
SCHEMBL21592647 0.88 MAP4K1 (0.62) MAP4K1MAP3K11TNIKIL2CAMKK2
SCHEMBL21593049 0.87 MAP4K1 (0.57) MAP4K1MAP3K11PIK3CGTNIK

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