SCHEMBL20069764

SCHEMBL20069764

CN1CCC(C)(C(=O)NCC(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
RET P07949 1/20 0.36
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.33
TRPA1 O75762 1/20 0.33
HIF1A Q16665 1/20 0.33
MLYCD O95822 1/20 0.32
CHRM4 P08173 3/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
PRKD1 Q15139 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL12110130 0.86 JAK2 (0.39) JAK2JAK1JAK3RETSMN1; SMN2
SCHEMBL18390115 0.84 RET (0.39) JAK2JAK1JAK3RETDRD2
SCHEMBL20148018 0.83 JAK2 (0.40) JAK2JAK1JAK3RETSMN1; SMN2
SCHEMBL17071899 0.82 DPP4 (0.38) JAK2JAK1JAK3RETDRD2
SCHEMBL22857029 0.80 JAK2 (0.39) JAK2JAK1JAK3RETSMN1; SMN2
SCHEMBL22172283 0.79 KMT2A (0.41) DRD2DRD4
SCHEMBL20069677 0.75 CYP2C19 (0.46) RETDRD2DRD4SMN1; SMN2TRPA1
SCHEMBL20069769 0.73 RET (0.36) RETDRD2DRD4TRPA1MMP9
SCHEMBL20069779 0.73 CYP3A4 (0.44) RETSMN1; SMN2
SCHEMBL18390127 0.73 RET (0.38) RETHIF1AMMP9MMP13MMP14

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed