SCHEMBL19618641

SCHEMBL19618641

c1cc(-c2ccnc3ccccc23)cc(-c2cc(-c3cccc4ccccc34)nc3ccc(-c4cccc5ccccc45)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.51
ACVR1 Q04771 8/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACACA Q13085 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CAMKK1 Q8N5S9 2/20 0.41
CAMKK2 Q96RR4 2/20 0.41
CYP1A2 P05177 1/20 0.41
TGFBR1 P36897 2/20 0.41
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL19618426 0.96 PIK3CA (0.52) PIK3CAACVR1MEN1KMT2AACACA
SCHEMBL19618414 0.91 ACVR1 (0.47) PIK3CAACVR1MEN1KMT2ACAMKK1
SCHEMBL19618451 0.89 ACVR1 (0.50) PIK3CAACVR1ACACACAMKK1CAMKK2
SCHEMBL19618327 0.87 PIK3CA (0.60) PIK3CAACVR1MEN1KMT2AACACA
SCHEMBL19618346 0.87 PIK3CA (0.60) PIK3CAACVR1MEN1KMT2AACACA
SCHEMBL19618468 0.87 PIK3CA (0.60) PIK3CAACVR1MEN1KMT2AACACA
SCHEMBL19618285 0.85 PIK3CA (0.52) PIK3CAACVR1MEN1KMT2AACACA
SCHEMBL19618507 0.85 DHODH (0.44) PIK3CAACVR1MEN1KMT2ATGFBR1
SCHEMBL19618397 0.85 PIK3CA (0.64) PIK3CAACVR1MEN1KMT2AACACA
SCHEMBL19618505 0.84 TOP1 (0.44) PIK3CAACVR1MEN1KMT2AMAPK1

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-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed