SCHEMBL15908014

SCHEMBL15908014

CCC1(CC)c2cc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)c5ccccc45)c4ccccc34)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ HTR2C P28335 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PRKCI P41743 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL15908012 0.80 NSD2 (0.33) —
SCHEMBL15908016 0.79 BRD4 (0.33) PDK2BRD4
SCHEMBL6683913 0.76 PDK2 (0.38) PDK2
SCHEMBL6241818 0.75 PDK2 (0.57) PDK2HTR2CCYP1A2CYP2D6CYP19A1
SCHEMBL10018622 0.74 PDK2 (0.53) PDK2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL18267223 0.74 PDK2 (0.49) PDK2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL18319519 0.74 PDK2 (0.42) PDK2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL10153226 0.73 PDK2 (0.45) PDK2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL10017104 0.73 CYP1A2 (0.42) HTR2CCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6680358 0.72 PDK2 (0.39) 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-9048437-B2 Organic compound for organic electroluminescent device NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2015-06-02 — — US disclosed
US-9048437-B2 Organic compound for organic electroluminescent device NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2015-06-02 — — US disclosed
US-20140209866-A1 ORGANIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-07-31 — — US disclosed
US-20140209866-A1 ORGANIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2014-07-31 — — US disclosed
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