SCHEMBL28787359

SCHEMBL28787359

COc1cc(F)ccc1NC(=O)Nc1cccc2c1ccn2Cc1c[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 1/20 0.42
PTGER3 P43115 4/20 0.41
DGAT2 Q96PD7 1/20 0.41
P2RY1 P47900 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR4 P22455 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3711712 0.94 HTR1A (0.44) HTR1AHTR2AHTR7HTR6PTGER3
SCHEMBL3700555 0.92 HTR1A (0.48) HTR1AHTR2AHTR7HTR6PTGER3
Hydrochloric Acid SCHEMBL3697520 0.91 HTR1A (0.47) HTR1AHTR2AHTR7HTR6PTGER3
SCHEMBL27828003 0.89 CIT (0.41) PTGER3P2RY1HTR3EHTR3BHTR3A
SCHEMBL28790701 0.88 HTR1A (0.42) HTR1AHTR2AHTR7HTR6PTGER3
SCHEMBL3695061 0.86 MEN1 (0.50) FGFR1FGFR4MAPTMEN1KMT2A
SCHEMBL3698624 0.86 PKM (0.47) HTR1AHTR2AHTR7HTR6FGFR1
SCHEMBL3709404 0.86 PTGER3 (0.49) PTGER3FGFR1FGFR4MAPTMEN1
SCHEMBL3699567 0.86 PTGER3 (0.47) HTR1AHTR2AHTR7PTGER3P2RY1
SCHEMBL15053425 0.86 MAPT (0.40) HTR1AHTR2AHTR7HTR6DGAT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN claimed
CN-102066372-A 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors ASCEPION PHARMACEUTICALS INC 2011-05-18 CN disclosed