SCHEMBL29909200

SCHEMBL29909200

COc1cc(-c2cccc(N(C)c3nc4nnc(Cl)n4c4ccccc34)c2)ccc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.35
CSF1R P07333 4/20 0.35
ABCG2 Q9UNQ0 2/20 0.34
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
MBOAT4 Q96T53 1/20 0.32
PDE5A O76074 2/20 0.31
ABCB1 P08183 1/20 0.31
HSD11B1 P28845 1/20 0.31
FLT3 P36888 1/20 0.31
BMX P51813 1/20 0.31
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
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 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
SCHEMBL29909118 0.89 ABCG2 (0.36) ABCG2PDE5A
SCHEMBL29909953 0.89 ABCG2 (0.37) ABCG2PDE5A
SCHEMBL29909024 0.86 ABCG2 (0.37) EGFRCSF1RABCG2PDE5A
SCHEMBL29909829 0.83 ABCG2 (0.36) ABCG2PDE5A
SCHEMBL29909687 0.82 ABCG2 (0.37) ABCG2PDE5A
SCHEMBL29909361 0.82 HSD17B1 (0.39) ABCG2KDRPDE5A
SCHEMBL29909849 0.82 SCN9A (0.37) ABCG2KDR
SCHEMBL29909204 0.81 ABCG2 (0.35) ABCG2PDE5A
SCHEMBL29909758 0.81 ABCG2 (0.37) ABCG2PDE5A
SCHEMBL29909406 0.80 ABCG2 (0.36) EGFRABCG2PDE5A

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
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed