SCHEMBL24309404

SCHEMBL24309404

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Cl)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ JAK2 O60674 4/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3R2 O00459 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ JAK1 P23458 3/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ STAT3 P40763 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ BCL6 P41182 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL24309723 0.86 JAK2 (0.34) CNR1CNR2JAK2JAK1
SCHEMBL24309815 0.86 JAK2 (0.34) CNR1CNR2JAK2JAK1
SCHEMBL24310417 0.85 LMNA (0.33) LMNAADORA1ADORA2BCYP1A2CYP2C19
SCHEMBL24309836 0.85 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL24309878 0.84 PIK3CD (0.34) LMNAPIK3CDBCL6ALDH1A1
SCHEMBL24310692 0.83 JAK2 (0.33) JAK2JAK1
SCHEMBL24309576 0.83 JAK2 (0.33) JAK2JAK1
SCHEMBL24309833 0.82 JAK2 (0.32) JAK2JAK1
SCHEMBL24310454 0.82 JAK2 (0.31) JAK2
SCHEMBL24310486 0.81 JAK2 (0.32) JAK2JAK1

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-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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