SCHEMBL23601557

SCHEMBL23601557

COc1ccccc1-c1ccc2c(N(C)c3ccccc3)nc(=N)n(C=N)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 3/20 0.40
PDGFRB P09619 3/20 0.40
KDR P35968 2/20 0.40
DHFR P00374 1/20 0.39
CSF1R P07333 2/20 0.38
PDGFRA P16234 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR7 P34969 2/20 0.35

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
SCHEMBL23601707 0.85 PDE5A (0.42) EGFRPDGFRBKDRDHODH
SCHEMBL23601391 0.84 EGFR (0.46) EGFRPDGFRBKDRCSF1RPDGFRA
SCHEMBL23601069 0.81 PDE5A (0.37) EGFRPDGFRBKDR
SCHEMBL23601723 0.81 PDE5A (0.36) ALDH1A1
SCHEMBL23601722 0.79 PDE5A (0.36)
SCHEMBL23601804 0.78 CHEK1 (0.38) LMNAHPGD
SCHEMBL23601308 0.78 CSNK2A1 (0.39) LMNAHPGDALDH1A1ALOX15HSD17B10
SCHEMBL29909129 0.78 LMNA (0.40) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL23577361 0.78 LMNA (0.40) LMNACYP1A2CYP3A4CYP2D6TSHR
SCHEMBL23601519 0.75 ABCG2 (0.46) LMNACYP1A2CYP3A4ALDH1A1

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
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed