SCHEMBL1030947

SCHEMBL1030947

CC(C)(C)OC(=O)N1CCN(c2nc(N)nc3nc[nH]c23)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.61
PDGFRB P09619 1/20 0.55
MAPT P10636 1/20 0.51
MAP4K4 O95819 1/20 0.45
KIT P10721 2/20 0.45
MGMT P16455 2/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PTPN11 Q06124 1/20 0.42
ADORA1 P30542 1/20 0.41
CHRNA7 P36544 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
CDK2 P24941 1/20 0.40
PIK3CD O00329 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL1031242 0.83 MAPT (0.73) HRH4PDGFRBMAPTKIT
SCHEMBL1030946 0.82 MAP4K4 (0.47) PDGFRBMAPTMAP4K4KITCKS1B
SCHEMBL38942 0.80 HRH4 (0.85) HRH4PDGFRBADORA1PIK3CAPIK3CG
SCHEMBL1920031 0.78 SCD (0.47) MAPTMAP4K4KITCKS1BSKP1
SCHEMBL978369 0.76 MAP4K4 (0.46) MAPTMAP4K4KITCKS1BSKP1
SCHEMBL655402 0.75 MAP4K4 (0.46) MAPTMAP4K4KITCKS1BSKP1
SCHEMBL20507720 0.74 MAP4K4 (0.48) MAPTMAP4K4KITCKS1BSKP1
SCHEMBL1031240 0.74 KIT (0.58) MAPTMAP4K4KITCKS1BSKP1
SCHEMBL30225432 0.74 KIT (0.58) MAPTMAP4K4KITCKS1BSKP1
SCHEMBL654787 0.74 MAP4K4 (0.45) MAPTMAP4K4KITCKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067123-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-01-19 EP disclosed
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US disclosed
EP-1067123-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-10 EP disclosed