SCHEMBL29909438

SCHEMBL29909438

CN(c1cc(F)cc(Br)c1)c1nc(Cl)nc2cc(C#N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
NCEH1 Q6PIU2 2/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 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
SCHEMBL23577694 1.00 ABCG2 (0.38) ABCG2EGFRPDGFRBKDRNCEH1
SCHEMBL23600782 0.85 EGFR (0.40) ABCG2EGFRPDGFRBKDRTUBB4A
SCHEMBL29909304 0.85 EGFR (0.40) ABCG2EGFRPDGFRBKDRTUBB4A
SCHEMBL29909176 0.84 ABCG2 (0.36) ABCG2NCEH1CTNNB1TCF7L2
SCHEMBL23576695 0.84 ABCG2 (0.36) ABCG2NCEH1CTNNB1TCF7L2
SCHEMBL23576956 0.81 EGFR (0.37) ABCG2EGFRPDGFRBKDRTUBB4A
SCHEMBL29909248 0.81 EGFR (0.37) ABCG2EGFRPDGFRBKDRTUBB4A
SCHEMBL23577271 0.74 NCEH1 (0.32) ABCG2NCEH1
SCHEMBL29909658 0.74 NCEH1 (0.32) ABCG2NCEH1
SCHEMBL23576734 0.74 ABCG2 (0.53) ABCG2EGFRPDGFRBKDRTUBB4A

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 3 patents. 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
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed