SCHEMBL24310715

SCHEMBL24310715

Cc1ccccc1-c1nc(NSc2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.35
▸ EGFR P00533 5/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ CTSC P53634 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL24309386 0.92 JAK2 (0.37) CSF1REGFRHRH4CTSCMEN1
SCHEMBL24309916 0.88 EGFR (0.39) EGFRHRH4CTSCIGF1RMAP4K1
SCHEMBL24310153 0.88 CTSC (0.36) EGFRHRH4CTSCIGF1RMAP4K1
SCHEMBL24309843 0.87 CTSC (0.41) EGFRHRH4CTSCIGF1RMAP4K1
SCHEMBL24310686 0.86 BRD4 (0.38) EGFRHRH4CTSCIGF1RMAP4K1
SCHEMBL24309899 0.85 NPC1 (0.33) MEN1KMT2AIGF1RPTK2CYP1A2
SCHEMBL24310417 0.84 LMNA (0.33) LMNAIGF1RCYP1A2CYP2C19SMN1; SMN2
SCHEMBL29567387 0.84 GPR119 (0.41) CSF1RJAK2
SCHEMBL26808857 0.84 GPR119 (0.41) CSF1RJAK2
SCHEMBL24309869 0.83 CHEK1 (0.33) IGF1RMAP4K1CYP1A2CYP2C19SMN1; SMN2

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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