SCHEMBL21597512

SCHEMBL21597512

C1=NN=C(Nc2ccncc2)[N]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.42
▸ CTSD P07339 1/20 0.41
▸ MDM2 Q00987 1/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ CHEK1 O14757 2/20 0.30
▸ PLK1 P53350 2/20 0.30

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
SCHEMBL21597605 0.77 ADRA2A (0.42) RAD52ADRA2AADRA2BADRA2CKDM4E
SCHEMBL21597543 0.71 CCNK (0.39) KMT2ATGFBR1ROCK1
SCHEMBL725063 0.71 RAD52 (0.70) RAD52CTSDMDM2ADRA2AADRA2B
SCHEMBL23576558 0.68 GRM4 (0.37) —
SCHEMBL21597266 0.68 TNF (0.40) —
SCHEMBL21597679 0.68 GRM4 (0.37) —
SCHEMBL21597175 0.67 MEN1 (0.52) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL21597196 0.65 ABCG2 (0.45) KMT2AMEN1POLBMAPTTGFBR1
SCHEMBL21597284 0.64 LRRK2 (0.36) KMT2APOLB
SCHEMBL21597506 0.64 — —

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
Send feedback