SCHEMBL24716294

SCHEMBL24716294

COc1nc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3[S+](C)[O-])n1)CN(C)CC2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 11/20 0.54
▸ ALK Q9UM73 8/20 0.52
▸ ROS1 P08922 1/20 0.48
▸ MET P08581 2/20 0.47
▸ INSR P06213 2/20 0.46
▸ IGF1R P08069 2/20 0.46
▸ MAP3K7 O43318 1/20 0.46

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
SCHEMBL24716302 0.87 MAP4K1 (0.54) MAP4K1ALKMETINSRIGF1R
SCHEMBL24716906 0.84 MAP4K1 (0.76) MAP4K1ALKROS1METINSR
SCHEMBL24716296 0.84 MAP4K1 (0.53) MAP4K1ALKMAP3K7
SCHEMBL24716046 0.82 MAP4K1 (0.52) MAP4K1ALKMET
SCHEMBL24716375 0.82 MAP4K1 (0.62) MAP4K1ALKMETINSRIGF1R
SCHEMBL24716911 0.81 ALK (0.62) MAP4K1ALKROS1METINSR
SCHEMBL24716028 0.81 MAP4K1 (0.51) MAP4K1ALKMET
SCHEMBL24394218 0.81 TTK (0.41) MAP4K1ALK
SCHEMBL25339375 0.77 MAP4K1 (0.61) MAP4K1ALKROS1METINSR
SCHEMBL30570439 0.77 MAP3K14 (0.44) MAP4K1ALK

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-2022214008-A1 HIGHLY ACTIVE HPK1 KINASE INHIBITOR 杭州阿诺生物医药科技有限公司 2022-10-13 — — WO disclosed
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