SCHEMBL9968149

SCHEMBL9968149

CC(C)c1ncc2c3cc(C(C)(C)c4ccc5c(c4)c4cnc(C(C)C)nc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.33
CDK4 P11802 1/20 0.33
CDK6 Q00534 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TEAD1 P28347 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
TEAD3 Q99594 1/20 0.32
MAT2A P31153 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
PTGES O14684 1/20 0.31
ALDH1A2 O94788 1/20 0.31
ALDH1A3 P47895 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL9968053 0.79 CYP1A2 (0.40) ALDH1A1MAPK1TEAD1TEAD4TEAD2
SCHEMBL9968271 0.77 DRD1 (0.34) CDK4CDK6ALDH1A1MAPK1MAPT
SCHEMBL9968147 0.72 KDM4E (0.34) ALDH1A1MAPK1MAPTNPSR1MAT2A
SCHEMBL13589177 0.72 ESR1 (0.44) ALDH1A1KDM4EL3MBTL1ATM
SCHEMBL9968262 0.70 ALDH1A1 (0.33) GSK3BCDK4CDK6ALDH1A1MAPK1
SCHEMBL9968248 0.70 PGR (0.34) ALDH1A1MAPK1MAPTNPSR1TEAD1
SCHEMBL14649307 0.70 KDM4E (0.55) ALDH1A1MAPK1MAPTNPSR1KDM4E
SCHEMBL26077573 0.70 KDM4E (0.42) ALDH1A1MAPK1MAPTNPSR1KDM4E
SCHEMBL31621190 0.70 L3MBTL1 (0.52) ALDH1A1MAPK1MAPTNPSR1KDM4E
SCHEMBL13146817 0.70 L3MBTL1 (0.52) ALDH1A1MAPK1MAPTNPSR1KDM4E

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed