SCHEMBL22031270

SCHEMBL22031270

CN1CC2CC(C1)N2Cc1ncccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.46
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.36
PIK3CD O00329 1/20 0.36
SSTR4 P31391 1/20 0.35
MTOR P42345 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
DRD2 P14416 2/20 0.34
HTR2A P28223 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL20154574 0.86 RET (0.44) RETTNKSPARP1TNKS2DPP4
SCHEMBL20153211 0.86 RET (0.48) RETTNKSPARP1TNKS2DPP4
SCHEMBL22030578 0.74 RET (0.34) RETKCNH2
SCHEMBL18390924 0.72 KMT2A (0.44) RETKCNH2
SCHEMBL19013673 0.70 BRD4 (0.44) DPP4MTORRPTORMLST8
SCHEMBL3791629 0.68 HPGD (0.51)
SCHEMBL18713232 0.68 CHRNB2 (0.47) RETKCNH2
SCHEMBL22812012 0.68 RET (0.44) RET
SCHEMBL22031272 0.68 CHKA (0.56) RETKCNH2
SCHEMBL20070534 0.66 VNN1 (0.41) RETTNKSPARP1TNKS2GABRA1

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
EP-3753939-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma Inc. (US) 2020-12-23 EP disclosed
EP-3523301-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-05-27 EP disclosed