SCHEMBL28891647

SCHEMBL28891647

CN1CCN(c2ccc(Nc3nc4c(NCCO)cccc4nc3C(N)=O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 8/20 0.50
▸ ROS1 P08922 8/20 0.50
▸ FLT3 P36888 8/20 0.50
▸ EML4 Q9HC35 7/20 0.50
▸ ALK Q9UM73 7/20 0.50
▸ EGFR P00533 7/20 0.50
▸ SLC2A1 P11166 1/20 0.47
▸ STAT6 P42226 1/20 0.45
▸ AURKA O14965 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL29875589 0.81 RET (0.58) RETROS1FLT3EML4ALK
SCHEMBL28891673 0.81 RET (0.58) RETROS1FLT3EML4ALK
SCHEMBL25561902 0.72 RET (0.59) RETROS1FLT3EML4ALK
SCHEMBL10127376 0.72 EML4 (0.67) RETROS1FLT3EML4ALK
SCHEMBL13405469 0.72 PIM1 (0.52) RETROS1FLT3EML4ALK
SCHEMBL16195676 0.72 EML4 (0.70) RETROS1FLT3EML4ALK
SCHEMBL13405471 0.71 MAPT (0.53) RETROS1FLT3EML4ALK
SCHEMBL282875 0.70 RET (0.55) RETROS1FLT3EML4ALK
SCHEMBL10128020 0.70 RET (0.69) RETROS1FLT3EML4ALK
SCHEMBL13405489 0.70 PIM1 (0.64) RETROS1FLT3EML4ALK

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-115197154-A HPK1 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-10-18 — — CN disclosed
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