SCHEMBL19119483

SCHEMBL19119483

Nc1nc(Cl)nc2c1sc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 6/20 0.57
▸ CDK5 Q00535 1/20 0.57
▸ CDK5R1 Q15078 1/20 0.57
▸ HRH4 Q9H3N8 1/20 0.44
▸ MAPT P10636 4/20 0.39
▸ TNKS O95271 2/20 0.39
▸ TNKS2 Q9H2K2 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ KRAS P01116 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL2534139 0.83 LIMK1 (0.44) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL19325077 0.80 MAPT (0.51) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL16902632 0.78 ALDH1A1 (0.47) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL30646362 0.78 ALDH1A1 (0.47) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL21636323 0.78 LIMK1 (0.54) LIMK1CDK5CDK5R1HRH4TNKS
SCHEMBL2497988 0.77 HRH4 (0.53) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL25490263 0.76 MAPT (0.42) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL13992526 0.76 EGFR (0.42) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL2536243 0.76 PIM1 (0.45) LIMK1CDK5CDK5R1HRH4MAPT
SCHEMBL19758777 0.75 GPR3 (0.41) LIMK1CDK5CDK5R1HRH4MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017119654-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2017-07-13 — — WO disclosed
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