SCHEMBL24310169

SCHEMBL24310169

CC(C)CCc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Cl)c1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FLT4 P35916 2/20 0.31
▸ KDR P35968 2/20 0.31
▸ 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
SCHEMBL24310812 0.86 — —
SCHEMBL24309610 0.84 — —
SCHEMBL24309576 0.84 JAK2 (0.33) —
SCHEMBL29567029 0.82 HTR1A (0.35) FLT4KDRCNR2
SCHEMBL24309606 0.82 HTR1A (0.35) FLT4KDRCNR2
SCHEMBL24310386 0.81 KDM4E (0.30) —
SCHEMBL24309710 0.78 FLT4 (0.30) FLT4KDR
SCHEMBL24310222 0.78 KDM5B (0.30) —
SCHEMBL24310486 0.75 JAK2 (0.32) —
SCHEMBL24309815 0.74 JAK2 (0.34) CNR2

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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