SCHEMBL19645076

SCHEMBL19645076

C=Cc1ccc(C(=O)Nc2cn(Cc3cc(F)c(F)c(F)c3)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.37
P2RY14 Q15391 1/20 0.37
RIPK1 Q13546 10/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PRKAA2 P54646 1/20 0.33

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
SCHEMBL18940403 0.84 RIPK1 (0.37) P2RY14RIPK1CDK5CDK5R1
SCHEMBL18940440 0.84 TAS2R8 (0.38) TAS2R8P2RY14RIPK1CDK5CDK5R1
SCHEMBL20331205 0.83 TAS2R8 (0.40) TAS2R8P2RY14RIPK1CDK5CDK5R1
SCHEMBL18961333 0.82 MAPK7 (0.35) TAS2R8P2RY14RIPK1CDK5CDK5R1
SCHEMBL18940435 0.82 TAS2R8 (0.36) TAS2R8P2RY14RIPK1CDK5CDK5R1
SCHEMBL18961351 0.82 RIPK1 (0.34) TAS2R8P2RY14RIPK1CDK5CDK5R1
SCHEMBL18961394 0.82 TAS2R8 (0.37) TAS2R8P2RY14RIPK1CDK5CDK5R1
SCHEMBL18961397 0.79 TAS2R8 (0.39) TAS2R8P2RY14RIPK1CDK5CDK5R1
SCHEMBL18961316 0.78 KMT2A (0.45) RIPK1CDK5CDK5R1SMN1; SMN2ALDH1A1
SCHEMBL18961340 0.78 TAS2R8 (0.35) TAS2R8P2RY14RIPK1CDK5CDK5R1

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
US-9828362-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 US disclosed
US-9828362-B2 1,4-disubstituted imidazole derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-11-28 US disclosed