SCHEMBL1030946

SCHEMBL1030946

CC(C)(C)OC(=O)N1CCN(c2nc(N)nc3[nH]cnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
KIT P10721 2/20 0.47
PTPN11 Q06124 1/20 0.46
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
GBA1 P04062 2/20 0.41
KCNH2 Q12809 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
CXCR2 P25025 1/20 0.40
PIK3CA P42336 1/20 0.39
PDGFRB P09619 1/20 0.39
PARP1 P09874 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
SCHEMBL3876920 0.87 KIT (0.45) MAP4K4KITPTPN11CKS1BSKP1
SCHEMBL1031240 0.86 KIT (0.58) MAP4K4KITPTPN11CKS1BSKP1
SCHEMBL30225432 0.86 KIT (0.58) MAP4K4KITPTPN11CKS1BSKP1
SCHEMBL1030947 0.82 HRH4 (0.61) MAP4K4KITPTPN11CKS1BSKP1
SCHEMBL16178400 0.78 PI4KB (0.59) MAP4K4KCNH2
SCHEMBL7738405 0.78 KCNH2 (0.48) MAP4K4KITPTPN11CKS1BSKP1
SCHEMBL20507720 0.77 MAP4K4 (0.48) MAP4K4KITPTPN11CKS1BSKP1
SCHEMBL20093538 0.77 HRH4 (0.62) KCNH2
SCHEMBL978369 0.76 MAP4K4 (0.46) MAP4K4KITPTPN11CKS1BSKP1
SCHEMBL31733118 0.76 KIT (0.43) MAP4K4KITPTPN11CKS1BSKP1

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