SCHEMBL29909776

SCHEMBL29909776

COc1cccc(N(C)c2nc3nncn3c3ccccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
EGFR P00533 2/20 0.39
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
CSF1R P07333 1/20 0.38

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
SCHEMBL23601282 1.00 DYRK1A (0.44) DYRK1APER2CRY1CRY2KMT2A
SCHEMBL23576748 0.94 CYP1A2 (0.44) DYRK1AKMT2AUSP2CYP1A2CYP3A4
SCHEMBL29909727 0.94 CYP1A2 (0.44) DYRK1AKMT2AUSP2CYP1A2CYP3A4
SCHEMBL29909632 0.88 EGFR (0.40) USP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23577808 0.88 EGFR (0.40) USP2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23577069 0.87 EGFR (0.52) SMN1; SMN2EGFRPDGFRBKDR
SCHEMBL29909686 0.87 EGFR (0.52) SMN1; SMN2EGFRPDGFRBKDR
SCHEMBL23577319 0.87 SMN1; SMN2 (0.35) DYRK1ASMN1; SMN2
SCHEMBL29909117 0.87 SMN1; SMN2 (0.35) DYRK1ASMN1; SMN2
SCHEMBL23577048 0.85 CSF1R (0.49) EGFRPDGFRBKDRCSF1R

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