SCHEMBL29909006

SCHEMBL29909006

CN(c1cccc(C(F)(F)F)c1)c1nc2nncn2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
CSF1R P07333 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
TACR1 P25103 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR6 P50406 1/20 0.36
KIF11 P52732 1/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL23601727 1.00 EGFR (0.42) EGFRCSF1RSMN1; SMN2TP53MAPT
SCHEMBL29909622 0.89 TACR1 (0.40) SMN1; SMN2TACR1ABCG2KIF11
SCHEMBL23577126 0.89 TACR1 (0.40) SMN1; SMN2TACR1ABCG2KIF11
SCHEMBL29909212 0.85 KIF11 (0.39) EGFRCSF1RSMN1; SMN2TP53MAPT
SCHEMBL23577152 0.85 KIF11 (0.39) EGFRCSF1RSMN1; SMN2TP53MAPT
SCHEMBL23577419 0.85 ABCG2 (0.52) SMN1; SMN2ABCG2HTR6
SCHEMBL31229721 0.85 ABCG2 (0.52) SMN1; SMN2ABCG2HTR6
SCHEMBL23577319 0.84 SMN1; SMN2 (0.35) SMN1; SMN2ABCG2
SCHEMBL29909117 0.84 SMN1; SMN2 (0.35) SMN1; SMN2ABCG2
SCHEMBL23577241 0.84 MAPT (0.43) EGFRCSF1RSMN1; SMN2TP53MAPT

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