SCHEMBL2192292

SCHEMBL2192292

O=C(Cn1cnc2cccnc21)N(c1ccccc1)c1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
PABPC1 P11940 1/20 0.46
PTGIR P43119 1/20 0.41
CXCR3 P49682 9/20 0.40
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL2194087 0.86 KMT2A (0.52) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2194340 0.82 MEN1 (0.46) KMT2AMEN1TP53PABPC1PTGIR
SCHEMBL2192568 0.80 TP53 (0.42) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2218436 0.77 MEN1 (0.44) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL15157728 0.77 ALDH1A1 (0.48) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2220958 0.77 KMT2A (0.50) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2222060 0.74 TP53 (0.47) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2217138 0.74 ALDH1A1 (0.45) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL2193330 0.72 KMT2A (0.43) KMT2AMEN1TP53PABPC1CXCR3
SCHEMBL3585422 0.72 MEN1 (0.61) KMT2AMEN1TP53PABPC1CXCR3

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-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed