SCHEMBL24309676

SCHEMBL24309676

Cc1ccccc1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NSc2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.38
▸ LTA4H P09960 3/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ HTR7 P34969 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ MAPK10 P53779 2/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVR1 Q04771 2/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL24310587 0.91 FLT3 (0.37) FLT3LTA4HMAP4K1MAPK10MAPK8
SCHEMBL24309667 0.89 FLT3 (0.36) FLT3LTA4HHTR7MAPK10TGFBR1
SCHEMBL24309516 0.88 FLT3 (0.35) FLT3LTA4HHTR1AMAPK10MAPK8
SCHEMBL24309866 0.84 FLT3 (0.36) FLT3LTA4HHTR7HTR1AMAPK10
SCHEMBL24309611 0.84 CDK1 (0.34) FLT3LTA4HHTR1AMAPK10MAPK8
SCHEMBL24309743 0.84 LTA4H (0.41) FLT3LTA4HHTR1AMAPK10MAPK8
SCHEMBL24309744 0.84 LTA4H (0.38) FLT3LTA4HCYP1A2HTR7HTR1A
SCHEMBL24309902 0.83 IGF1R (0.37) FLT3LTA4HHTR7HTR1ATGFBR1
SCHEMBL29566726 0.83 RIPK2 (0.39) FLT3LTA4HCYP1A2HTR7HTR1A
SCHEMBL26807316 0.83 RIPK2 (0.39) FLT3LTA4HCYP1A2HTR7HTR1A

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
Send feedback