SCHEMBL25073752

SCHEMBL25073752

Cn1ncc2cc(Nc3cccc4ccn(CC(=O)Nc5cncc(C(F)(F)F)c5)c(=O)c34)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
NOTUM Q6P988 1/20 0.39
TRPA1 O75762 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NTRK1 P04629 2/20 0.36
DYRK3 O43781 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
MET P08581 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL31746891 1.00 RXFP1 (0.39) RXFP1NOTUMTRPA1TAS2R14TRPV1
SCHEMBL25073878 0.92 NOTUM (0.39) RXFP1NOTUMTRPA1TRPV1NTRK1
SCHEMBL31746925 0.92 NOTUM (0.39) RXFP1NOTUMTRPA1TRPV1NTRK1
SCHEMBL31746947 0.92 RXFP1 (0.47) RXFP1NOTUMMAPTHTTSMN1; SMN2
SCHEMBL25073887 0.92 RXFP1 (0.47) RXFP1NOTUMMAPTHTTSMN1; SMN2
SCHEMBL25073757 0.92 TRPA1 (0.47) RXFP1NOTUMTRPA1TRPV1MAPT
SCHEMBL31746896 0.92 TRPA1 (0.47) RXFP1NOTUMTRPA1TRPV1MAPT
SCHEMBL25073881 0.89 RXFP1 (0.41) RXFP1TRPA1TAS2R14NTRK1MAPT
SCHEMBL31746957 0.89 RXFP1 (0.41) RXFP1TRPA1TAS2R14NTRK1MAPT
SCHEMBL25073855 0.88 NOTUM (0.42) NOTUMNTRK1SYKMAPTL3MBTL1

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-2023021278-A1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA PLC (GB) 2023-02-23 WO disclosed