SCHEMBL21597543

SCHEMBL21597543

COc1cc(NC2=NN=C[N]2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ LOX P28300 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.36
▸ SORT1 Q99523 1/20 0.35
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL21597286 0.77 KMT2A (0.44) KMT2A
SCHEMBL29814227 0.72 CDK2 (0.51) CCNKCCNA2CDK2CDK9LOX
SCHEMBL21597512 0.71 RAD52 (0.42) TGFBR1KMT2AROCK1
SCHEMBL883726 0.71 LOX (0.48) CCNKCCNA2CDK2CDK9LOX
SCHEMBL14920770 0.70 LOX (0.47) CCNKCCNA2CDK2CDK9LOX
Hydrochloric Acid SCHEMBL4071650 0.70 LOX (0.47) CCNKCCNA2CDK2CDK9LOX
Hydrochloric Acid SCHEMBL16633079 0.68 LOX (0.50) CCNKCCNA2CDK2CDK9LOX
SCHEMBL27439867 0.68 EGFR (0.55) EGFR
SCHEMBL91401 0.68 CDK2 (0.53) CCNKCCNA2CDK2CDK9IRAK4
SCHEMBL24127759 0.67 LOX (0.44) CCNKCCNA2CDK2CDK9LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 — — EP claimed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 — — WO claimed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 — — EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 — — WO disclosed
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