SCHEMBL24309862

SCHEMBL24309862

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ NR1H4 Q96RI1 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
SCHEMBL24309830 0.91 IGF1R (0.32) JAK2JAK1IGF1R
SCHEMBL24310693 0.90 EGFR (0.33) BTKAURKAAURKB
SCHEMBL24309551 0.89 FYN (0.32) TNK2FYN
SCHEMBL24309823 0.88 AURKA (0.38) JAK2BTKAURKAAURKB
SCHEMBL24309744 0.87 LTA4H (0.38) TNK2IGF1RBTK
SCHEMBL24309922 0.85 F10 (0.40) —
SCHEMBL24310179 0.83 IGF1R (0.31) JAK2JAK1IGF1R
SCHEMBL24309723 0.82 JAK2 (0.34) JAK2JAK1IGF1RNR1H4
SCHEMBL24309901 0.81 IGF1R (0.33) JAK2JAK1IGF1R
SCHEMBL24309917 0.81 MAPK14 (0.33) JAK2JAK1IGF1RBTK

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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