SCHEMBL5545591

SCHEMBL5545591

CCCCn1nc2c(Cl)nc(-c3ccc(Cl)cc3)cn2c1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.48
▸ TLR8 Q9NR97 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMPD1 P17405 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL3523472 0.75 NPC1 (0.38) ENPP2TP53MAPT
SCHEMBL4478551 0.74 CNR1 (0.39) ENPP2SMPD1TP53THRB
SCHEMBL4623854 0.69 MEN1 (0.46) ENPP2TLR8MEN1KMT2ASMPD1
SCHEMBL4623900 0.69 TLR8 (0.47) ENPP2TLR8MEN1KMT2ASMPD1
SCHEMBL17401378 0.68 ENPP2 (0.93) ENPP2
SCHEMBL14180976 0.68 CNR1 (0.52) MEN1KMT2ASMPD1TP53MAPT
SCHEMBL17401560 0.68 ENPP2 (0.64) ENPP2TLR8
SCHEMBL17391730 0.67 ENPP2 (0.79) ENPP2
SCHEMBL17401555 0.66 ENPP2 (0.67) ENPP2
SCHEMBL17391719 0.66 ENPP2 (0.98) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678180-B1 SUBSTITUTED 2H-[1,2,4]TRIAZOLO 4,3-A PYRAZINES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2007-08-08 — — EP disclosed
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