SCHEMBL14014036

SCHEMBL14014036

COC(=O)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PIN1 Q13526 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
APOBEC3G Q9HC16 1/20 0.33
PYGL P06737 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
SCHEMBL4710027 1.00 ADORA3 (0.41) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL4707958 0.92 KDM4E (0.38) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL14014038 0.92 KDM4E (0.38) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL14015113 0.87 KMT2A (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL4710029 0.86 ADORA3 (0.43) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL14015104 0.81 ADAMTS4 (0.39) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL4709065 0.80 PLAT (0.44) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL14015115 0.80 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDHSD17B10
SCHEMBL14015105 0.79 ADAMTS4 (0.38) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL4707957 0.79 KDM4E (0.43) ADORA3ADORA2AADORA1MAPTMEN1

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