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SCHEMBL5163482

SCHEMBL5163482

CSCCC(NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.60
▸ NMUR1 Q9HB89 5/20 0.60
▸ CXCL8 P10145 3/20 0.58
▸ KDM1A O60341 3/20 0.57
▸ MAOB P27338 1/20 0.56
▸ KDM5A P29375 1/20 0.56
▸ KDM1B Q8NB78 1/20 0.56
▸ NPY2R P49146 5/20 0.56
▸ NPY4R P50391 5/20 0.56
▸ NPY5R Q15761 5/20 0.56
▸ NPY1R P25929 4/20 0.56
▸ RAMP3 O60896 1/20 0.56
▸ CALCR P30988 1/20 0.56
▸ APLNR P35414 1/20 0.55
▸ NTSR1 P30989 1/20 0.55

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
SCHEMBL31415954 0.90 KDM1A (0.56) KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30495837 0.90 OPRM1 (0.61) NMUR2NMUR1CXCL8RAMP3CALCR
SCHEMBL30536701 0.89 OPRM1 (0.58) NMUR2NMUR1CXCL8APLNR
SCHEMBL31174208 0.89 CALCR (0.62) KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31295443 0.89 NMUR2 (0.64) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL30432811 0.88 NPY2R (0.60) KDM1AMAOBKDM5AKDM1BNPY2R
SCHEMBL30176214 0.88 KDM1A (0.60) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL29554996 0.88 NMUR2 (0.65) NMUR2NMUR1KDM1AMAOBKDM5A
SCHEMBL30564574 0.88 NMUR2 (0.61) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL29549872 0.87 APLNR (0.58) NMUR2NMUR1CXCL8RAMP3CALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768977-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-04-04 — — EP disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 — — EP disclosed
WO-2006014359-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-09 — — WO disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 — — WO disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 — — EP disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 — — WO disclosed
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