SCHEMBL28935698

SCHEMBL28935698

Cc1ccc2c(-c3ccc(Nc4cc5ccn(CCN(C)C)c5cn4)c4c3CNC4=O)cnn2c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 18/20 0.40
CSF1R P07333 2/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37

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
Hydrochloric Acid SCHEMBL28935794 0.99 MAP4K1 (0.40) MAP4K1CSF1RCYP1A2CYP3A4CYP2D6
SCHEMBL28935696 0.81 TTK (0.33)
SCHEMBL29878025 0.79 MAP4K1 (0.46) MAP4K1
SCHEMBL29878464 0.79 MAP4K1 (0.42) MAP4K1
SCHEMBL28935921 0.79 MAP4K1 (0.49) MAP4K1
Hydrochloric Acid SCHEMBL31484039 0.78 WEE1 (0.35)
SCHEMBL29878261 0.77 MAP4K1 (0.45) MAP4K1
SCHEMBL23104087 0.75 MAP4K1 (0.67) MAP4K1
SCHEMBL30324528 0.75 MAP4K1 (0.67) MAP4K1
SCHEMBL23103616 0.73 MAP4K1 (0.62) MAP4K1

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-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed