SCHEMBL29909102

SCHEMBL29909102

CN(c1cccc(-c2ccccc2)c1)c1nc2nncn2c2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
PDE5A O76074 2/20 0.38
PDGFRB P09619 2/20 0.37
EGFR P00533 4/20 0.36
KDR P35968 1/20 0.36
DHODH Q02127 1/20 0.35
MAPT P10636 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL23576628 1.00 ABCG2 (0.38) ABCG2PDE5APDGFRBEGFRKDR
SCHEMBL23576865 0.93 MAPT (0.33) ABCG2PDE5APDGFRBEGFRKDR
SCHEMBL29909031 0.93 MAPT (0.33) ABCG2PDE5APDGFRBEGFRKDR
SCHEMBL29909127 0.92 FNTA (0.36) ABCG2PDE5APDGFRBEGFRKDR
SCHEMBL23577060 0.92 FNTA (0.36) ABCG2PDE5APDGFRBEGFRKDR
SCHEMBL23577341 0.91 PDE5A (0.36) PDE5APDGFRBEGFRKDRMAPT
SCHEMBL29909238 0.91 PDE5A (0.36) PDE5APDGFRBEGFRKDRMAPT
SCHEMBL23576713 0.90 OPRD1 (0.34) ABCG2PDGFRBMAPTGABRA1GABRG2
SCHEMBL23576643 0.90 NPM1 (0.39) PDGFRBEGFRKDRMAPTGABRG2
SCHEMBL29909114 0.90 NPM1 (0.39) PDGFRBEGFRKDRMAPTGABRG2

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-4445902-A2 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2024-10-16 EP disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed