SCHEMBL27950035

SCHEMBL27950035

CS(=O)(=O)CCN1CCc2c(cccc2Nc2ccc(CN)c(-c3ccc(Cl)cn3)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.35
▸ JAK3 P52333 9/20 0.35
▸ PTK2 Q05397 8/20 0.35
▸ BRD9 Q9H8M2 3/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ SMO Q99835 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL1922133 0.90 BRD9 (0.36) JAK2JAK3PTK2BRD9KAT2B
SCHEMBL27950046 0.89 JAK2 (0.34) JAK2JAK3PTK2BRD9CARM1
SCHEMBL27935549 0.88 JAK2 (0.38) JAK2JAK3PTK2BRD9CARM1
SCHEMBL27935548 0.87 CHEK1 (0.36) JAK2JAK3BRD9KAT2BJAK1
SCHEMBL27950037 0.86 JAK2 (0.39) JAK2JAK3PTK2BRD9CARM1
SCHEMBL303994 0.82 JAK2 (0.37) JAK2JAK3PTK2BRD9KAT2B
SCHEMBL1921911 0.80 JAK2 (0.37) JAK2JAK3PTK2BRD9KAT2B
SCHEMBL304368 0.79 JAK2 (0.42) JAK2JAK3PTK2BRD9CARM1
SCHEMBL303738 0.79 JAK2 (0.34) JAK2JAK3PTK2BRD9CARM1
SCHEMBL305399 0.78 CARM1 (0.39) JAK2JAK3PTK2BRD9CARM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 — — CN claimed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 — — CN disclosed
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