SCHEMBL21592874

SCHEMBL21592874

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)c5ccccc5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.58
CAMKK2 Q96RR4 4/20 0.50
SGK1 O00141 3/20 0.50
TNIK Q9UKE5 3/20 0.50
MAP3K11 Q16584 3/20 0.49
AXL P30530 4/20 0.49
NEK1 Q96PY6 1/20 0.47
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
PRKD3 O94806 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL21593054 0.92 MAP4K1 (0.56) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL21592917 0.91 MAP4K1 (0.56) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL21592647 0.90 MAP4K1 (0.62) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL21593013 0.88 MAP4K1 (0.57) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL21593016 0.88 MAP4K1 (0.55) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL28502252 0.87 MAP4K1 (0.65) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL21592762 0.87 MAP4K1 (0.64) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL21593034 0.87 MAP4K1 (0.61) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL28502217 0.87 MAP4K1 (0.59) MAP4K1CAMKK2SGK1TNIKMAP3K11
SCHEMBL21592850 0.86 MAP4K1 (0.58) MAP4K1CAMKK2SGK1TNIKMAP3K11

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