SCHEMBL19618285

SCHEMBL19618285

c1cc(-c2ccnc3ccccc23)cc(-c2cc(-c3ccc4ccccc4c3)nc3ccc(-c4ccc5ccccc5c4)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.52
ACVR1 Q04771 7/20 0.50
ACACA Q13085 4/20 0.45
CAMKK1 Q8N5S9 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
MET P08581 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ERN1 O75460 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
SCHEMBL19618591 0.94 ACVR1 (0.47) PIK3CAACVR1ACACAMETAAK1
SCHEMBL19618279 0.94 PIK3CA (0.56) PIK3CAACVR1ACACAAAK1MEN1
SCHEMBL19618468 0.93 PIK3CA (0.60) PIK3CAACVR1ACACACAMKK1CAMKK2
SCHEMBL19618397 0.90 PIK3CA (0.64) PIK3CAACVR1ACACACAMKK1CAMKK2
SCHEMBL19618346 0.90 PIK3CA (0.60) PIK3CAACVR1ACACACAMKK1CAMKK2
SCHEMBL19618327 0.90 PIK3CA (0.60) PIK3CAACVR1ACACACAMKK1CAMKK2
SCHEMBL19618588 0.89 ACVR1 (0.49) PIK3CAACVR1ACACACAMKK1CAMKK2
SCHEMBL19618297 0.86 PIK3CA (0.44) PIK3CAACVR1ACACAMEN1KMT2A
SCHEMBL19618641 0.85 PIK3CA (0.51) PIK3CAACVR1ACACACAMKK1CAMKK2
SCHEMBL19618305 0.85 PIK3CA (0.68) PIK3CAACVR1ACACACAMKK1CAMKK2

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