SCHEMBL28503233

SCHEMBL28503233

Cc1c(C(N)=O)ccc(-c2c[nH]c3ncc(-c4ccc(N(C)C(=O)CN5CCN(C)CC5)cc4)cc23)c1C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 9/20 0.54
TNIK Q9UKE5 10/20 0.49
MAP4K1 Q92918 1/20 0.45
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
ABL1 P00519 1/20 0.44
INSR P06213 1/20 0.44
CDK2 P24941 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL28502500 0.85 MAP3K11 (0.73) MAP3K11TNIKMAP4K1IKBKBCHUK
SCHEMBL28513743 0.83 MAP4K1 (0.60) MAP3K11TNIKMAP4K1
SCHEMBL21592655 0.81 TNIK (0.65) MAP3K11TNIKMAP4K1IKBKBCHUK
SCHEMBL28502483 0.81 TNIK (0.52) MAP3K11TNIKMAP4K1IKBKBCHUK
SCHEMBL28511325 0.80 MAP4K1 (0.57) MAP3K11TNIKMAP4K1
SCHEMBL28499626 0.80 MAP4K1 (0.61) MAP3K11TNIKMAP4K1
SCHEMBL28514908 0.80 MAP4K1 (0.58) MAP3K11TNIKMAP4K1ABL1INSR
SCHEMBL28506325 0.79 MAP4K1 (0.57) MAP3K11TNIKMAP4K1ABL1INSR
SCHEMBL28510111 0.78 MAP4K1 (0.55) MAP3K11MAP4K1
SCHEMBL28597669 0.78 PAK1 (0.58) MAP3K11MAP4K1ABL1INSRCDK2

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
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