SCHEMBL29909705

SCHEMBL29909705

CN(c1cccc(-c2ccc(C(F)F)nc2)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.37
PDE5A O76074 2/20 0.32
CYP11B2 P19099 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DHODH Q02127 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL29909747 0.91 ABCG2 (0.36) ABCG2DHODH
SCHEMBL29909551 0.90 CYP11B2 (0.31) CYP11B2
SCHEMBL29909708 0.88 ABCG2 (0.41) ABCG2PDE5ACYP11B2NPC1POLB
SCHEMBL29909353 0.87 ABCG2 (0.37) ABCG2PDE5ANPC1POLBGAA
SCHEMBL29909643 0.87 ABCG2 (0.37) ABCG2PDE5ADHODHGRIN1GRIN2B
SCHEMBL29909741 0.86 NPC1 (0.43) ABCG2PDE5ANPC1POLBGAA
SCHEMBL29909758 0.86 ABCG2 (0.37) ABCG2PDE5ADHODHGRIN2B
SCHEMBL29909687 0.86 ABCG2 (0.37) ABCG2PDE5ADHODH
SCHEMBL29909361 0.85 HSD17B1 (0.39) ABCG2PDE5A
SCHEMBL29909750 0.84 ABCG2 (0.36) ABCG2PDE5ANPC1POLBGAA

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