SCHEMBL28506325

SCHEMBL28506325

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(N)=O)c(C)c4C)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.57
MAP3K11 Q16584 6/20 0.50
IL2 P60568 3/20 0.47
CAMKK2 Q96RR4 1/20 0.46
PIK3CG P48736 1/20 0.44
CHEK1 O14757 2/20 0.43
DYRK1A Q13627 2/20 0.42
KIT P10721 1/20 0.42
TNIK Q9UKE5 3/20 0.42
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
PDPK1 O15530 1/20 0.42
DYRK3 O43781 1/20 0.42
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 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
SCHEMBL28502218 0.97 MAP4K1 (0.54) MAP4K1MAP3K11IL2CAMKK2PIK3CG
SCHEMBL28511000 0.91 MAP3K11 (0.48) MAP4K1MAP3K11IL2CAMKK2CHEK1
SCHEMBL28506182 0.91 MAP4K1 (0.48) MAP4K1MAP3K11CAMKK2PIK3CGCHEK1
SCHEMBL28508656 0.89 MAP3K11 (0.47) MAP4K1MAP3K11IL2CAMKK2PIK3CG
SCHEMBL28513875 0.89 MAP4K1 (0.56) MAP4K1MAP3K11IL2CAMKK2PIK3CG
SCHEMBL28509597 0.89 MAP3K11 (0.46) MAP4K1MAP3K11IL2CAMKK2PIK3CG
SCHEMBL28513743 0.89 MAP4K1 (0.60) MAP4K1MAP3K11IL2CAMKK2CHEK1
SCHEMBL28513869 0.88 MAP4K1 (0.48) MAP4K1MAP3K11CAMKK2PIK3CGCHEK1
SCHEMBL28499626 0.88 MAP4K1 (0.61) MAP4K1MAP3K11IL2CAMKK2CHEK1
SCHEMBL28514908 0.88 MAP4K1 (0.58) MAP4K1MAP3K11IL2CAMKK2CHEK1

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