SCHEMBL30979049

SCHEMBL30979049

CN(c1cccc(F)c1)c1nc2nnc(F)n2c2cc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.43
EGFR P00533 3/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
MAPT P10636 1/20 0.31
PDPK1 O15530 1/20 0.31
KDR P35968 1/20 0.31
PDGFRB P09619 1/20 0.30
DHODH Q02127 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30979132 0.90 EGFR (0.43) ABCG2EGFRKDR
SCHEMBL29909053 0.86 ABCG2 (0.41) ABCG2F2F10MAPTKDR
SCHEMBL29909731 0.84 ABCG2 (0.46) ABCG2MAPTDHODH
SCHEMBL29909725 0.83 ABCG2 (0.33) ABCG2EGFRDHODH
SCHEMBL23577132 0.83 ABCG2 (0.43) ABCG2EGFRF2F10MAPT
SCHEMBL29909229 0.83 ABCG2 (0.43) ABCG2EGFRF2F10MAPT
SCHEMBL29909466 0.82 ABL1 (0.33) ABCG2DHODH
SCHEMBL29909273 0.77 ABCG2 (0.36) ABCG2EGFRKDRPDGFRB
SCHEMBL29909694 0.75 CYP1A1 (0.35) ABCG2EGFR
SCHEMBL30979122 0.75 PDE5A (0.43) ABCG2EGFRKDRPDGFRB

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