SCHEMBL5614512

SCHEMBL5614512

CCCCCN(C(N)=O)n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.42
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
TACR1 P25103 1/20 0.30
NPC1 O15118 1/20 0.30
JAK2 O60674 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL3920608 0.76 NOS1 (0.39) NOS1
SCHEMBL8835357 0.76 NOS1 (0.41) NOS1TLR8
SCHEMBL11228644 0.75 NOS1 (0.39) NOS1TLR8
SCHEMBL28026279 0.72 TBXAS1 (0.41)
SCHEMBL28025718 0.72 TBXAS1 (0.41)
SCHEMBL3914658 0.69 NOS1 (0.41) NOS1
SCHEMBL4784943 0.68 KMT2A (0.33)
SCHEMBL6066343 0.67 GNAI3 (0.38) TACR1NPC1JAK2RAB9APAX8
SCHEMBL4763663 0.65 NPC1 (0.42) NPC1JAK2RAB9APAX8
Benzene SCHEMBL27712389 0.64 CA12 (0.45) TACR1NPC1JAK2RAB9APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO disclosed