SCHEMBL24309743

SCHEMBL24309743

Cn1cc(SNc2nc(Cl)cc(Oc3ccc(N4CCNCC4)cc3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.41
▸ FLT3 P36888 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAPK10 P53779 2/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ TGFBR1 P36897 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ ACVR1 Q04771 3/20 0.34
▸ ACVR1B P36896 2/20 0.34

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
SCHEMBL24310524 0.91 BRD4 (0.37) BRD4
SCHEMBL24309866 0.86 FLT3 (0.36) LTA4HFLT3HTR3EHTR3BADRB1
SCHEMBL24309698 0.85 CDK4 (0.37) LTA4HFLT3HTR3EHTR3BADRB1
SCHEMBL24309667 0.84 FLT3 (0.36) LTA4HFLT3MAPK10TGFBR1PIM1
SCHEMBL24310587 0.84 FLT3 (0.37) LTA4HFLT3HTR3EHTR3BADRB1
SCHEMBL24309516 0.84 FLT3 (0.35) LTA4HFLT3HTR3EHTR3BADRB1
SCHEMBL24309676 0.84 FLT3 (0.38) LTA4HFLT3MAPK10MAPK8TGFBR1
SCHEMBL24309787 0.83 MAPT (0.36) ALK
SCHEMBL24309611 0.82 CDK1 (0.34) LTA4HFLT3HTR3EHTR3BADRB1
SCHEMBL24309513 0.81 LTA4H (0.41) LTA4HFLT3HTR3EHTR3BADRB1

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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