SCHEMBL24309667

SCHEMBL24309667

Cc1c(Cl)cccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.36
▸ LTA4H P09960 3/20 0.35
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ WEE1 P30291 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ACVR1 Q04771 3/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ TGFBR1 P36897 3/20 0.32
▸ LCK P06239 2/20 0.32
▸ GUSB P08236 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ HTR7 P34969 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
SCHEMBL24309676 0.89 FLT3 (0.38) FLT3LTA4HACVR1MAPK10TGFBR1
SCHEMBL24310587 0.86 FLT3 (0.37) FLT3LTA4HPIM1PIM3PIM2
SCHEMBL24309743 0.84 LTA4H (0.41) FLT3LTA4HPIM1BRD4ACVR1
SCHEMBL29566865 0.84 GUSB (0.39) FLT3LTA4HPIM1PIM3PIM2
SCHEMBL24309665 0.84 GUSB (0.39) FLT3LTA4HPIM1PIM3PIM2
SCHEMBL24309516 0.83 FLT3 (0.35) FLT3LTA4HBRD4ACVR1MAPK10
SCHEMBL24309611 0.83 CDK1 (0.34) FLT3LTA4HACVR1MAPK10TGFBR1
SCHEMBL24309350 0.81 HTR3A (0.33) PIM1PIM3PIM2WEE1ACVR1
SCHEMBL24309866 0.80 FLT3 (0.36) FLT3LTA4HBRD4ACVR1MAPK10
SCHEMBL24309698 0.79 CDK4 (0.37) FLT3LTA4HTGFBR1

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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