SCHEMBL28596016

SCHEMBL28596016

Cc1c(C(N)=O)ccc(-c2c[nH]c3ncc(-c4ccc5c(c4)CCN(C4CCN(C)CC4)C5)cc23)c1C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.52
PAK1 Q13153 5/20 0.48
PKN1 Q16512 1/20 0.48
MAP3K11 Q16584 3/20 0.44
PIK3CG P48736 3/20 0.42
IL2 P60568 1/20 0.41
CAMKK2 Q96RR4 5/20 0.41

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
SCHEMBL28605051 0.90 PAK1 (0.58) MAP4K1PAK1PKN1MAP3K11PIK3CG
SCHEMBL28597669 0.87 PAK1 (0.58) MAP4K1PAK1PKN1MAP3K11PIK3CG
SCHEMBL28506396 0.84 MAP4K1 (0.52) MAP4K1MAP3K11IL2CAMKK2
SCHEMBL28605064 0.82 PIK3CG (0.48) MAP4K1PIK3CG
SCHEMBL28508666 0.82 CAMKK2 (0.49) MAP4K1MAP3K11PIK3CGIL2CAMKK2
SCHEMBL28596015 0.80 MAP4K1 (0.78) MAP4K1PAK1PKN1MAP3K11PIK3CG
SCHEMBL28585837 0.80 MAP3K11 (0.43) MAP4K1PAK1MAP3K11PIK3CGIL2
SCHEMBL28600335 0.80 MAP4K1 (0.61) MAP4K1PAK1PKN1MAP3K11PIK3CG
SCHEMBL28597602 0.80 MAP4K1 (0.58) MAP4K1PAK1PKN1MAP3K11CAMKK2
SCHEMBL28513743 0.79 MAP4K1 (0.60) MAP4K1MAP3K11IL2CAMKK2

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-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN disclosed