SCHEMBL16557960

SCHEMBL16557960

CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5cccnc5)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(C#N)ccc6n7-c6ccccc6)cc5)cc34)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.40
▸ CYP11B2 P19099 5/20 0.39
▸ CYP11B1 P15538 3/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ PDK2 Q15119 3/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALK Q9UM73 2/20 0.35
▸ STK10 O94804 2/20 0.34
▸ SLK Q9H2G2 2/20 0.34
▸ NEK1 Q96PY6 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ PTGER4 P35408 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
SCHEMBL16557958 0.92 PDK2 (0.40) PDK2ALK
SCHEMBL16557929 0.91 PDK2 (0.40) PDK2ALK
SCHEMBL16557942 0.90 PDK2 (0.38) PDK2ALK
SCHEMBL16456244 0.87 CYP11B2 (0.49) FLT3CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL16809820 0.86 CYP11B2 (0.40) FLT3CYP11B2CYP11B1CYP17A1PDK2
SCHEMBL16557990 0.86 PDK2 (0.39) PDK2ALK
SCHEMBL16456242 0.86 CYP11B2 (0.47) FLT3CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL16455795 0.86 CYP11B2 (0.50) FLT3CYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL16606989 0.85 PDK2 (0.37) FLT3CYP11B2CYP11B1CYP17A1PDK2
SCHEMBL16456238 0.85 CYP11B2 (0.49) FLT3CYP11B2CYP11B1CYP17A1CYP19A1

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
US-20150069355-A1 CONDENSED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 — — US disclosed
US-20150069355-A1 CONDENSED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 — — US disclosed
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