SCHEMBL24309732

SCHEMBL24309732

CCC(C)c1ccccc1Oc1cc(Oc2ccc(N3CCNCC3)cc2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.35
▸ FLT3 P36888 2/20 0.34
▸ ACVR1 Q04771 3/20 0.33
▸ RIPK2 O43353 2/20 0.33
▸ NOD2 Q9HC29 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ MAPK10 P53779 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ KHK P50053 1/20 0.30
▸ TGFBR1 P36897 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
SCHEMBL29566968 0.85 HTR6 (0.41) LTA4HFLT3ACVR1RIPK2NOD2
SCHEMBL24309746 0.85 HTR6 (0.41) LTA4HFLT3ACVR1RIPK2NOD2
SCHEMBL24309611 0.82 CDK1 (0.34) LTA4HFLT3ACVR1MAPK10MAPK8
SCHEMBL24309743 0.80 LTA4H (0.41) LTA4HFLT3ACVR1MAPK10MAPK8
SCHEMBL24309866 0.79 FLT3 (0.36) LTA4HFLT3ACVR1MAPK10MAPK8
SCHEMBL24309676 0.79 FLT3 (0.38) LTA4HFLT3ACVR1MAPK10MAPK8
SCHEMBL24310587 0.78 FLT3 (0.37) LTA4HFLT3ACVR1LCKJAK3
SCHEMBL24309698 0.77 CDK4 (0.37) LTA4HFLT3CDK2TGFBR1CDK1
SCHEMBL24309516 0.76 FLT3 (0.35) LTA4HFLT3ACVR1MAPK10MAPK8
SCHEMBL24310046 0.76 LTA4H (0.34) LTA4HACVR1LCKJAK3BTK

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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