SCHEMBL2193330

SCHEMBL2193330

COc1ccc(N(C(=O)Cn2cnc3cccnc32)c2ccccc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
CSF1R P07333 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPBWR1 P48145 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 3/20 0.39
PABPC1 P11940 1/20 0.39
THRB P10828 1/20 0.39
CTSD P07339 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CXCR3 P49682 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
SCHEMBL2194087 0.81 KMT2A (0.52) KMT2ATSHRLMNASMN1; SMN2MEN1
SCHEMBL2192568 0.77 TP53 (0.42) KMT2AMEN1ALDH1A1TP53PABPC1
SCHEMBL2194340 0.75 MEN1 (0.46) KMT2ATSHRLMNASMN1; SMN2MEN1
SCHEMBL15157728 0.75 ALDH1A1 (0.48) KMT2ATSHRLMNASMN1; SMN2MEN1
SCHEMBL2218436 0.75 MEN1 (0.44) KMT2ATSHRLMNAMEN1ALDH1A1
SCHEMBL2220958 0.75 KMT2A (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1TP53
SCHEMBL2217138 0.74 ALDH1A1 (0.45) KMT2ATSHRLMNAMEN1ALDH1A1
SCHEMBL2192292 0.72 KMT2A (0.46) KMT2AMEN1TP53PABPC1RAB9A
SCHEMBL2222060 0.72 TP53 (0.47) KMT2ALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL2193749 0.70 NPC1 (0.45) KMT2AMEN1ALDH1A1TP53PABPC1

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