SCHEMBL24309769

SCHEMBL24309769

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ KDR P35968 2/20 0.31
▸ BRAF P15056 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ PTK2 Q05397 3/20 0.31
▸ FLT4 P35916 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
SCHEMBL24310201 0.95 MAP4K1 (0.32) MAP4K1MAP4K3IGF1R
SCHEMBL24309929 0.91 MAP4K1 (0.33) MAP4K1MAP4K3IGF1R
SCHEMBL24310416 0.90 USP1 (0.32) MAP4K1MAP4K3KDRBRAFPTK2
SCHEMBL24310088 0.90 IGF1R (0.31) MAP4K1MAP4K3IGF1R
SCHEMBL24310733 0.89 IGF1R (0.34) MAP4K1MAP4K3IGF1R
SCHEMBL24309840 0.89 MAP4K1 (0.32) MAP4K1MAP4K3IGF1R
SCHEMBL24309841 0.88 PTK2 (0.34) MAP4K1KDRPTK2FLT4
SCHEMBL24309869 0.87 CHEK1 (0.33) MAP4K1MAP4K3IGF1R
SCHEMBL24309897 0.86 DHODH (0.32) MAP4K1MAP4K3IGF1R
SCHEMBL24310392 0.85 MAP4K1 (0.35) MAP4K1MAP4K3KDRBRAFPTK2

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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