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SCHEMBL16153252

SCHEMBL16153252

Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccc4cc5c6c(ccc7cc-3c2c4c76)C(C)(C)c2cc(N(c3ccccc3)c3cccc(C)c3)ccc2-5)c1

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ CYP51A1 Q16850 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16153251 0.93 PDK2 (0.32) PDK2
SCHEMBL15197367 0.93 PDK2 (0.34) PDK2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL13507493 0.91 PDK2 (0.33) PDK2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL16153227 0.88 PDK2 (0.32) PDK2
SCHEMBL16153247 0.88 PDK2 (0.32) PDK2
SCHEMBL29392491 0.87 PDK2 (0.37) PDK2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL29512030 0.87 PDK2 (0.37) PDK2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL133232 0.87 PDK2 (0.37) PDK2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL31324820 0.87 PDK2 (0.37) PDK2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL16153253 0.87 PDK2 (0.32) PDK2

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-9608207-B2 Organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-28 — — US disclosed
US-9608207-B2 Organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-28 — — US disclosed
US-20140299851-A1 Organic Electroluminescence Element UDC IRELAND LIMITED (IE) 2014-10-09 — — US disclosed
US-20140299851-A1 Organic Electroluminescence Element UDC IRELAND LIMITED (IE) 2014-10-09 — — US disclosed