SCHEMBL19618451

SCHEMBL19618451

c1cc(-c2ccnc3ccccc23)cc(-c2cc(-c3cc4ccccc4c4ccccc34)nc3ccc(-c4cc5ccccc5c5ccccc45)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 9/20 0.50
PIK3CA P42336 2/20 0.50
CYP11B1 P15538 1/20 0.42
ACACA Q13085 2/20 0.40
CAMKK1 Q8N5S9 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
CYP1A2 P05177 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
HTR2B P41595 1/20 0.39
MTNR1A P48039 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL19618437 0.95 PIK3CA (0.52) ACVR1PIK3CACYP11B1ACACACAMKK1
SCHEMBL19618591 0.91 ACVR1 (0.47) ACVR1PIK3CACYP11B1ACACAAAK1
SCHEMBL19618641 0.89 PIK3CA (0.51) ACVR1PIK3CAACACACAMKK1CAMKK2
SCHEMBL19618440 0.87 ACVR1 (0.45) ACVR1PIK3CACYP11B1ACACACAMKK1
SCHEMBL19618327 0.86 PIK3CA (0.60) ACVR1PIK3CAACACACAMKK1CAMKK2
SCHEMBL19618468 0.86 PIK3CA (0.60) ACVR1PIK3CAACACACAMKK1CAMKK2
SCHEMBL19618346 0.86 PIK3CA (0.60) ACVR1PIK3CAACACACAMKK1CAMKK2
SCHEMBL19618588 0.86 ACVR1 (0.49) ACVR1PIK3CAACACACAMKK1CAMKK2
SCHEMBL19618426 0.85 PIK3CA (0.52) ACVR1PIK3CAACACACAMKK1CAMKK2
SCHEMBL19618285 0.84 PIK3CA (0.52) ACVR1PIK3CAACACACAMKK1CAMKK2

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