SCHEMBL3471563

SCHEMBL3471563

Clc1ccccc1Nc1nccn2c(-c3ccc4[nH]ccc4c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.46
▸ DYRK3 O43781 3/20 0.43
▸ CCNT1 O60563 3/20 0.43
▸ CDK9 P50750 3/20 0.43
▸ CDK5 Q00535 3/20 0.43
▸ DYRK1A Q13627 3/20 0.43
▸ CDK5R1 Q15078 3/20 0.43
▸ DYRK2 Q92630 3/20 0.43
▸ DYRK1B Q9Y463 3/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ EED O75530 1/20 0.42
▸ LCK P06239 1/20 0.41
▸ PTK6 Q13882 1/20 0.41
▸ TTK P33981 3/20 0.39
▸ ULK1 O75385 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ MAPKAPK5 Q8IW41 2/20 0.39
▸ TTBK1 Q5TCY1 1/20 0.38
▸ TTBK2 Q6IQ55 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
SCHEMBL5618954 0.82 FLT3 (0.51) ERN1DYRK3CCNT1CDK9CDK5
SCHEMBL11939102 0.81 TTK (0.45) ERN1EEDPTK6TTKMAPKAPK5
SCHEMBL3470478 0.77 MAPKAPK5 (0.43) EEDPTK6TTKMAPKAPK5ADORA3
SCHEMBL8240825 0.74 AURKA (0.59) CCNA2CDK2LCKPTK6TTK
SCHEMBL5618947 0.73 DYRK3 (0.44) ERN1DYRK3CCNT1CDK9CDK5
SCHEMBL3470208 0.73 FGFR2 (0.40) EEDPTK6MAPKAPK5ADORA3SYK
SCHEMBL3469690 0.73 PRKD1 (0.44) EEDTTKULK1MAPKAPK5ADORA3
SCHEMBL3468104 0.73 FGFR2 (0.42) PTK6TTKULK1MAPKAPK5ADORA3
SCHEMBL14537044 0.73 AURKA (0.45) PTK6TTKMAPKAPK5ADORA3SYK
SCHEMBL8241606 0.73 AURKA (0.58) DYRK1APTK6MAPKAPK5SYK

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
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 — — WO disclosed
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