SCHEMBL19784902

SCHEMBL19784902

Brc1cc(-c2ccccc2)cc(-c2nc(-c3ccccc3)c3sc4ccccc4c3n2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.36
▸ TNKS O95271 3/20 0.34
▸ TNKS2 Q9H2K2 3/20 0.34
▸ LIMK1 P53667 3/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KRAS P01116 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ ABCG2 Q9UNQ0 2/20 0.31
▸ ABCB1 P08183 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
SCHEMBL16581112 0.94 TNKS (0.38) EGFRTNKSTNKS2LIMK1CDK5
SCHEMBL19106369 0.94 TNKS (0.38) EGFRTNKSTNKS2LIMK1CDK5
SCHEMBL19106368 0.94 TNKS (0.38) EGFRTNKSTNKS2LIMK1CDK5
SCHEMBL18370251 0.92 TNKS (0.40) EGFRTNKSTNKS2LIMK1CDK5
SCHEMBL19106370 0.92 TNKS (0.40) EGFRTNKSTNKS2LIMK1CDK5
SCHEMBL19106250 0.92 TNKS (0.40) EGFRTNKSTNKS2LIMK1CDK5
SCHEMBL19106372 0.91 LIMK1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL19106355 0.91 MEN1 (0.40) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL19106374 0.91 LIMK1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL19106378 0.91 LIMK1 (0.39) TNKSTNKS2LIMK1CDK5CDK5R1

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
WO-2018021737-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-02-01 — — WO disclosed
WO-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 — — WO disclosed
WO-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 — — WO disclosed
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