SCHEMBL24309551

SCHEMBL24309551

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Oc2ccccc2)c1C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.32
▸ TNK2 Q07912 1/20 0.31

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
SCHEMBL24310590 0.91 IGF1R (0.31) —
SCHEMBL24309862 0.89 TNK2 (0.32) FYNTNK2
SCHEMBL24310158 0.89 MAP4K1 (0.37) TNK2
SCHEMBL24309647 0.88 MAP3K7 (0.32) —
SCHEMBL24310568 0.88 — —
SCHEMBL24310153 0.88 CTSC (0.36) TNK2
SCHEMBL24310217 0.87 HTR1A (0.31) —
SCHEMBL24310226 0.86 DYRK1A (0.34) —
SCHEMBL24310812 0.85 — —
SCHEMBL24309576 0.84 JAK2 (0.33) —

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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