SCHEMBL14014668

SCHEMBL14014668

Clc1ccc(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
S1PR5 Q9H228 3/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALKBH1 Q13686 1/20 0.35
MAOB P27338 4/20 0.34
MAOA P21397 1/20 0.34
PPARG P37231 1/20 0.33
ADAM33 Q9BZ11 1/20 0.32
PDGFRA P16234 1/20 0.31
ROCK1 Q13464 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14014586 0.91 PLAT (0.38) MAOBMAOAMEN1ALDH1A1HPGD
SCHEMBL14014669 0.91 S1PR1 (0.35) S1PR1
SCHEMBL14014662 0.89 SCN1A (0.36) S1PR1
SCHEMBL14014671 0.88 BTK (0.33) SIGMAR1MEN1KMT2AHRH3
SCHEMBL14542125 0.87 CYP4F2 (0.35) MAOBMAPK1
SCHEMBL14014796 0.86 BMP4 (0.36) MEN1ALDH1A1GAAHPGDALOX15
SCHEMBL14014679 0.86 ALOX5 (0.37) HTR2AMAOBALDH1A1GAAHPGD
SCHEMBL14014682 0.86 NPC1 (0.36) ALKBH1MEN1HPGDMAPK1KMT2A
SCHEMBL14014686 0.86 ALOX5AP (0.33) MEN1ALDH1A1TSHRMAPK1KMT2A
SCHEMBL14014615 0.85 MAOB (0.37) ALKBH1MAOBALDH1A1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7449488-B2 Pyrazolopyrimidines as protein kinase inhibitors SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196111-B2 Pyrazolo[1,5a]pyrimidine compounds as antiviral agents SCHERING CORPORATION (US) 2007-03-27 US disclosed