SCHEMBL22557590

SCHEMBL22557590

O=[N+]([O-])c1cccc2ccn(-c3nc(Cl)ncc3F)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 1/20 0.47
▸ PIN1 Q13526 13/20 0.43
▸ MAPT P10636 3/20 0.39
▸ FGFR1 P11362 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 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
SCHEMBL30753606 1.00 RPS6KA5 (0.47) RPS6KA5PIN1MAPTFGFR1PDE10A
SCHEMBL22556978 0.79 RPS6KA5 (0.52) RPS6KA5MAPTSMN1; SMN2POLB
SCHEMBL30753600 0.79 RPS6KA5 (0.52) RPS6KA5MAPTSMN1; SMN2POLB
SCHEMBL19533517 0.73 PIN1 (0.42) RPS6KA5PIN1MAPTSMN1; SMN2KDM4E
SCHEMBL27335197 0.68 PDE10A (0.56) PIN1MAPTPDE10ASMN1; SMN2KDM4E
SCHEMBL19533520 0.66 FGFR1 (0.54) RPS6KA5MAPTFGFR1SMN1; SMN2MEN1
SCHEMBL31511393 0.66 PIN1 (0.49) PIN1MAPTPDE10AKDM4EMEN1
SCHEMBL12813490 0.65 PIN1 (0.56) PIN1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27253708 0.65 RPS6KA5 (0.57) RPS6KA5PIN1MAPTSMN1; SMN2
SCHEMBL28910296 0.65 ALDH1A1 (0.44) MAPTFGFR1PDE10ASMN1; SMN2KDM4E

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
EP-3956322-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2022-02-23 — — EP disclosed
WO-2020211839-A1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-10-22 — — WO disclosed
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