SCHEMBL25459072

SCHEMBL25459072

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6c(-c7cccc8sc9c(-c%10ccccc%10)cccc9c78)cccc6c45)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.39
ALOX5 P09917 3/20 0.36
BRDT Q58F21 2/20 0.35
PRKDC P78527 4/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 3/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL23823885 0.97 LIMK1 (0.40) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL25458074 0.93 LIMK1 (0.38) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL25459077 0.92 ALOX5 (0.38) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL25459054 0.92 LIMK1 (0.35) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL22403630 0.92 LIMK1 (0.39) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL22403306 0.91 LIMK1 (0.36) LIMK1ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL25459120 0.91 ALOX5 (0.46) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL25458990 0.90 LIMK1 (0.35) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL25459124 0.90 ALOX5 (0.44) LIMK1ALOX5BRDTPRKDCPIK3CD
SCHEMBL23823681 0.90 LIMK1 (0.36) LIMK1ALOX5BRDTPRKDCPIK3CD

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-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed