SCHEMBL28914012

SCHEMBL28914012

Clc1nccc2sc(-c3ccc(Br)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.40
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ EPHB4 P54760 1/20 0.32

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
SCHEMBL28561330 0.84 APP (0.40) APPLMNASMN1; SMN2RAB9AKDM4E
SCHEMBL28577953 0.84 KDM4E (0.41) APPLMNASMN1; SMN2RAB9AKDM4E
SCHEMBL30443461 0.74 IDO1 (0.39) SMN1; SMN2RAB9AKDM4ECYP19A1
SCHEMBL29439805 0.74 RAB9A (0.35) APPLMNASMN1; SMN2RAB9AKDM4E
SCHEMBL22715224 0.74 RAB9A (0.35) APPLMNASMN1; SMN2RAB9AKDM4E
SCHEMBL30443202 0.73 ADORA2A (0.45) RAB9A
SCHEMBL28577760 0.73 ADORA2A (0.45) RAB9A
SCHEMBL30443261 0.71 ILK (0.42) LMNASMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL28560913 0.71 ADORA3 (0.46) LMNARAB9AKDM4EMAPTMEN1
SCHEMBL30443451 0.71 KDM4E (0.50) SMN1; SMN2RAB9AKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 — — CN disclosed
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