SCHEMBL16768570

SCHEMBL16768570

CC(C)(C)c1ccc(Nc2c(N)c3ccncc3c3cnccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 11/20 0.48
KDR P35968 3/20 0.42
IDO1 P14902 5/20 0.40
FLT1 P17948 2/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL16768562 0.80 IDO1 (0.57) TDO2IDO1SMN1; SMN2
SCHEMBL16768564 0.76 TDO2 (0.58) TDO2IDO1ALDH1A1KIF11
SCHEMBL16768567 0.72 IDO1 (0.40) TDO2IDO1
SCHEMBL10034545 0.70 KIF11 (0.59) KDRFLT1PDGFRBKITALDH1A1
SCHEMBL16755955 0.68 AXL (0.50) ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL16473180 0.67 NAMPT (0.61) ALDH1A1POLBHTTSMN1; SMN2KIF11
SCHEMBL15525264 0.67 TRPV1 (0.43) KITALDH1A1SMN1; SMN2KIF11NAMPT
SCHEMBL24540865 0.67 CLK1 (0.41) TDO2ALDH1A1KIF11
SCHEMBL31343853 0.66 RAB9A (0.59) KDRALDH1A1POLBHTTSMN1; SMN2
SCHEMBL28504115 0.66 IMPDH2 (0.47) KDRALDH1A1KIF11NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666809-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed
US-20150155497-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-04 US disclosed