SCHEMBL5811999

SCHEMBL5811999

COCCn1c(C)c(C)c2ccnc(C#N)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NR2F2 P24468 1/20 0.36
TSHR P16473 4/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
POLB P06746 2/20 0.33
PKM P14618 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL1734869 0.80 DYRK1A (0.40) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL5810449 0.80 KMT2A (0.38) KMT2AMEN1NPC1RAB9ANR2F2
Hydrochloric Acid SCHEMBL5810813 0.78 KMT2A (0.37) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL5806731 0.76 MCL1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5807447 0.76 BCL6 (0.32) KDM4E
SCHEMBL1739162 0.75 ALDH1A1 (0.44) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL1736932 0.75 KMT2A (0.39) KMT2AMEN1NPC1RAB9ANR2F2
SCHEMBL5806050 0.75 KMT2A (0.34) KMT2AMEN1NPC1RAB9ANR2F2
Hydrochloric Acid SCHEMBL1736659 0.74 KMT2A (0.38) KMT2AMEN1NPC1RAB9ANR2F2
Hydrochloric Acid SCHEMBL1735642 0.74 ALDH1A1 (0.43) KMT2AMEN1NPC1RAB9ANR2F2

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed