SCHEMBL29909893

SCHEMBL29909893

COc1cnc(-c2cccc(N(C)c3nc4nnc(Cl)n4c4ccc(F)cc34)c2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
DHODH Q02127 1/20 0.33
OXTR P30559 3/20 0.32
AVPR1A P37288 2/20 0.32
TDO2 P48775 1/20 0.32
BACE1 P56817 1/20 0.31
KDR P35968 2/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
FGFR3 P22607 1/20 0.31
F2RL3 Q96RI0 1/20 0.31
EGFR P00533 1/20 0.30
CSF1R P07333 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 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
SCHEMBL29909128 0.87 ABCG2 (0.34) ABCG2DHODH
SCHEMBL29909790 0.83 NR3C1 (0.37) ABCG2DHODHTDO2
SCHEMBL29909252 0.82 ABCG2 (0.45) ABCG2DHODH
SCHEMBL29909078 0.82 PTGDR2 (0.37) ABCG2DHODHTDO2
SCHEMBL29909513 0.81 ABCG2 (0.35) ABCG2DHODH
SCHEMBL29909747 0.80 ABCG2 (0.36) ABCG2DHODH
SCHEMBL29909783 0.80 DHODH (0.37) ABCG2DHODH
SCHEMBL29909361 0.80 HSD17B1 (0.39) ABCG2OXTRKDREPHB4TEK
SCHEMBL29909871 0.79 ABCG2 (0.40) ABCG2DHODHCSF1R
SCHEMBL29909452 0.79 DHODH (0.38) ABCG2DHODHF2RL3TUBB4ATUBB

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
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed