SCHEMBL21592971

SCHEMBL21592971

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C[C@@H](C)O)cc4)c3c2)ccc1CCCCN(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.56
▸ SGK1 O00141 6/20 0.46
▸ CAMKK2 Q96RR4 6/20 0.44
▸ AXL P30530 3/20 0.43
▸ MAP3K11 Q16584 3/20 0.43
▸ NTRK1 P04629 1/20 0.41
▸ NEK1 Q96PY6 1/20 0.41
▸ PIK3CG P48736 1/20 0.40

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
SCHEMBL21592950 1.00 MAP4K1 (0.56) MAP4K1SGK1CAMKK2AXLMAP3K11
SCHEMBL21592891 0.84 CAMKK2 (0.54) MAP4K1SGK1CAMKK2AXLMAP3K11
SCHEMBL21592940 0.81 MAP4K1 (0.61) MAP4K1SGK1CAMKK2AXLMAP3K11
SCHEMBL21592634 0.79 MAP4K1 (0.68) MAP4K1MAP3K11PIK3CG
SCHEMBL21592633 0.79 MAP4K1 (0.68) MAP4K1MAP3K11PIK3CG
SCHEMBL21592845 0.79 MAP4K1 (0.68) MAP4K1MAP3K11PIK3CG
SCHEMBL21592906 0.78 MAP4K1 (0.75) MAP4K1MAP3K11PIK3CG
SCHEMBL21592913 0.78 MAP4K1 (0.75) MAP4K1MAP3K11PIK3CG
SCHEMBL22922551 0.78 MAP4K1 (0.53) MAP4K1SGK1CAMKK2AXLMAP3K11
SCHEMBL22922550 0.78 MAP4K1 (0.53) MAP4K1SGK1CAMKK2AXLMAP3K11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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