SCHEMBL30978994

SCHEMBL30978994

CNc1nc2nncn2c2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.40
▸ MAT2A P31153 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ HTR3A P46098 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ PDGFRA P16234 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ PTGES O14684 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
SCHEMBL23601428 0.83 MAT2A (0.48) MAT2AMAPTHRH4SMN1; SMN2
SCHEMBL30979084 0.83 TOP2A (0.43) TOP2AMAT2AKDM4EMAPTALDH1A1
SCHEMBL30979101 0.80 TOP2A (0.37) TOP2AMAT2AKDM4EMAPTHRH4
SCHEMBL29909120 0.79 TOP2A (0.54) TOP2AKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL30979110 0.79 TOP2A (0.39) TOP2AMAT2AKDM4EMAPTALDH1A1
SCHEMBL29909609 0.78 KDM4E (0.37) KDM4EMAPTHRH4ALDH1A1SMN1; SMN2
SCHEMBL23576802 0.78 KDM4E (0.37) KDM4EMAPTHRH4ALDH1A1SMN1; SMN2
SCHEMBL30979012 0.78 HRH4 (0.43) TOP2AKDM4EMAPTHRH4ALDH1A1
SCHEMBL30920847 0.77 KDM4E (0.39) TOP2AKDM4EMAPTSMN1; SMN2
SCHEMBL30961037 0.74 SMN1; SMN2 (0.42) TOP2AMAT2AKDM4EMAPTSMN1; SMN2

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
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