SCHEMBL2194340

SCHEMBL2194340

O=C(Cn1cnc2cccnc21)N(c1ccccc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.38
CXCR3 P49682 3/20 0.38
KCNN4 O15554 1/20 0.38
KCNA5 P22460 1/20 0.38
PTGIR P43119 1/20 0.38
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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 0.93 KMT2A (0.52) MEN1TP53PABPC1KMT2AALDH1A1
SCHEMBL15157728 0.83 ALDH1A1 (0.48) MEN1TP53PABPC1KMT2AALDH1A1
SCHEMBL2218436 0.83 MEN1 (0.44) MEN1TP53PABPC1KMT2AALDH1A1
SCHEMBL2192292 0.82 KMT2A (0.46) MEN1TP53PABPC1KMT2ACXCR3
SCHEMBL2220958 0.81 KMT2A (0.50) MEN1TP53PABPC1KMT2AALDH1A1
SCHEMBL2217138 0.80 ALDH1A1 (0.45) MEN1TP53PABPC1KMT2AALDH1A1
SCHEMBL2192568 0.79 TP53 (0.42) MEN1TP53PABPC1KMT2AALDH1A1
SCHEMBL2222060 0.78 TP53 (0.47) MEN1TP53PABPC1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10641565 0.76 MEN1 (0.41) MEN1TP53PABPC1KMT2ASMN1; SMN2
SCHEMBL2193330 0.75 KMT2A (0.43) MEN1TP53PABPC1KMT2AALDH1A1

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