SCHEMBL5310554

SCHEMBL5310554

NCCNc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.73
DYRK1A Q13627 1/20 0.60
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 2/20 0.57
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
ACP1 P24666 1/20 0.57
MEN1 O00255 3/20 0.56
NPC1 O15118 2/20 0.56
NPY1R P25929 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
PKM P14618 1/20 0.54
POLB P06746 1/20 0.54
STAT1 P42224 1/20 0.54

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
SCHEMBL31730084 0.91 RIPK1 (0.76) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL11204735 0.84 RIPK1 (0.93) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL5005571 0.84 RIPK1 (0.72) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL5212426 0.84 RIPK1 (0.76) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL5005629 0.84 RIPK1 (0.72) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL5001727 0.83 RIPK1 (0.67) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL2116582 0.82 DYRK1A (0.67) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL5213890 0.81 RIPK1 (0.65) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL5215317 0.81 BCHE (0.67) RIPK1DYRK1AKMT2AALDH1A1CYP3A4
SCHEMBL14395001 0.81 BCHE (0.67) RIPK1DYRK1AKMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed