SCHEMBL16282364

SCHEMBL16282364

CC(C)(C)c1ccnc2c1sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.42
▸ TNKS O95271 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ EGFR P00533 4/20 0.41
▸ GPR3 P46089 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ KRAS P01116 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL13209223 0.78 LIMK1 (0.51) LIMK1CDK5CDK5R1HRH4TNKS
SCHEMBL22874230 0.78 LIMK1 (0.54) LIMK1CDK5CDK5R1HRH4TNKS
SCHEMBL15746024 0.77 GPR3 (0.43) LIMK1CDK5CDK5R1HRH4TNKS
SCHEMBL16282359 0.76 LIMK1 (0.42) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL12395340 0.75 GPR3 (0.50) LIMK1CDK5CDK5R1TNKSTNKS2
SCHEMBL16693325 0.75 LIMK1 (0.51) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL29519419 0.75 LIMK1 (0.51) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL16685432 0.75 LIMK1 (0.51) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL19937109 0.75 LIMK1 (0.51) LIMK1CDK5CDK5R1HRH4EGFR
SCHEMBL18177882 0.74 GPR3 (0.41) LIMK1CDK5CDK5R1HRH4TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9735373-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-08-15 — — US disclosed
US-9735373-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-08-15 — — US disclosed
US-20140361252-A1 ALUMINUM CHELATES AS MATERIALS FOR OLEDS UNIVERSAL DISPLAY CORPORATION (US) 2014-12-11 — — US disclosed
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