SCHEMBL24309723

SCHEMBL24309723

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ IGF1R P08069 3/20 0.33
▸ CDK19 Q9BWU1 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ NR1H4 Q96RI1 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL24309815 0.91 JAK2 (0.34) JAK2JAK1IGF1RCDK19ALK
SCHEMBL24309836 0.89 JAK2 (0.33) JAK2JAK1IGF1RCDK19ALK
SCHEMBL24309576 0.87 JAK2 (0.33) JAK2JAK1
SCHEMBL24310692 0.87 JAK2 (0.33) JAK2JAK1IGF1R
SCHEMBL24309833 0.86 JAK2 (0.32) JAK2JAK1
SCHEMBL24309404 0.86 CNR1 (0.35) JAK2JAK1CNR1CNR2
SCHEMBL24310486 0.86 JAK2 (0.32) JAK2JAK1
SCHEMBL24309390 0.85 JAK2 (0.31) JAK2JAK1
SCHEMBL24310454 0.84 JAK2 (0.31) JAK2
SCHEMBL24309830 0.83 IGF1R (0.32) JAK2JAK1IGF1R

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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