SCHEMBL15834705

SCHEMBL15834705

c1nc2c(ccc3nc[nH]c32)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
PRKCI P41743 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
RAD52 P43351 1/20 0.42
MMP12 P39900 1/20 0.40
CYP3A4 P08684 1/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2A1 P68400 2/20 0.39
RAB9A P51151 1/20 0.39
CSNK2B P67870 1/20 0.39
DYRK1A Q13627 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL38687 0.78 ADRA2A (0.41) LMNAMEN1KMT2APOLBPRKCI
SCHEMBL1374558 0.78 PRKCI (0.44) MEN1KMT2APRKCIKDM4EMAPT
SCHEMBL12438833 0.74 PARP1 (0.41) POLBPRKCIMAPTMMP12CYP3A4
SCHEMBL15893398 0.74 HTR3E (0.42) LMNAMEN1KMT2APOLBPRKCI
SCHEMBL2250400 0.72 PARP1 (0.39) LMNAMEN1KMT2APOLBPRKCI
SCHEMBL1193116 0.70 LMNA (0.42) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL1193119 0.70 PARP1 (0.39) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL168621 0.69 MEN1 (0.53) LMNAMEN1KMT2APOLBPRKCI
SCHEMBL12446804 0.68 LMNA (0.53) LMNAMEN1KMT2APOLBKDM4E
SCHEMBL2254298 0.68 PARP1 (0.35) LMNAMEN1KMT2APOLBPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160197275-A1 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2016-07-07 US disclosed
US-20160197275-A1 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2016-07-07 US disclosed
WO-2014094965-A2 EMITTER HAVING A CONDENSED RING SYSTEM MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed