SCHEMBL29352599

SCHEMBL29352599

CNc1cnc(Oc2ccc(-c3ccc(F)cc3)cc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CHRNA7 P36544 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SCN9A Q15858 3/20 0.39
▸ FPR2 P25090 2/20 0.39
▸ HSPB1 P04792 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MAPK10 P53779 3/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ LIPE Q05469 2/20 0.36
▸ SCN4A P35499 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL22529970 1.00 MEN1 (0.43) MEN1KMT2AKDM4ECHRNA7L3MBTL1
SCHEMBL22530943 0.89 MAPK8 (0.38) MEN1KMT2AKDM4ECHRNA7L3MBTL1
SCHEMBL29350344 0.89 MAPK8 (0.38) MEN1KMT2AKDM4ECHRNA7L3MBTL1
SCHEMBL24471268 0.85 HSD17B1 (0.45) PDGFRBPDGFRA
SCHEMBL18331936 0.83 KDM4E (0.49) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL22530049 0.80 KDM4E (0.53) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL29351944 0.80 KDM4E (0.53) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL22530467 0.79 CD38 (0.38) —
SCHEMBL22530931 0.77 ALDH1A1 (0.63) KDM4EALDH1A1SCN9AMAPK14
SCHEMBL22529955 0.77 MEN1 (0.55) MEN1KMT2AKDM4ECHRNA7L3MBTL1

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
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 — — CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 — — CN disclosed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 — — EP disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN disclosed
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