SCHEMBL17030462

SCHEMBL17030462

c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3sc4ccccc4c3n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
HRH4 Q9H3N8 2/20 0.35
HTR2C P28335 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCG2 Q9UNQ0 4/20 0.33
PRKCI P41743 3/20 0.32
TNKS O95271 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
ACP1 P24666 2/20 0.32
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL17030418 0.93 PIK3CA (0.39) PIK3CAHRH4HTR2CKDM4EATM
SCHEMBL17030460 0.93 ATM (0.38) PIK3CAHRH4HTR2CKDM4EATM
SCHEMBL17030461 0.93 PRKCI (0.41) PIK3CAHRH4HTR2CKDM4EPRKCI
SCHEMBL19247897 0.91 ATM (0.40) PIK3CAHRH4HTR2CKDM4EATM
SCHEMBL16905707 0.91 PIK3CA (0.44) PIK3CAHRH4HTR2CKDM4EATM
SCHEMBL20842537 0.91 LIMK1 (0.34) PIK3CAHRH4
SCHEMBL19247817 0.90 ATM (0.39) PIK3CAHRH4HTR2CKDM4EATM
SCHEMBL17030451 0.90 PIK3CA (0.39) PIK3CAHRH4HTR2CPRKCITNKS
SCHEMBL16905712 0.90 HRH4 (0.39) PIK3CAHRH4HTR2CKDM4EATM
SCHEMBL16905647 0.89 ATM (0.40) PIK3CAHRH4HTR2CKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-20150243893-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 US disclosed
US-20150243893-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 US disclosed
EP-2910555-A1 Organic electroluminescent materials and devices Universal Display Corporation (US) 2015-08-26 EP disclosed