SCHEMBL21744564

SCHEMBL21744564

C[C@H](O)c1ccc(-n2cc(F)cn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.45
RET P07949 16/20 0.40
OGA O60502 1/20 0.39
JAK2 O60674 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
CCDC6 Q16204 1/20 0.37
SMO Q99835 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
SCHEMBL21744559 1.00 EGLN1 (0.45) EGLN1RETOGAJAK2KIF5B
SCHEMBL21744566 1.00 EGLN1 (0.45) EGLN1RETOGAJAK2KIF5B
SCHEMBL22701706 0.88 EGLN1 (0.50) EGLN1RETJAK2KIF5BKDR
SCHEMBL18849598 0.85 RET (0.42) EGLN1RETJAK2KIF5BKDR
SCHEMBL30175348 0.85 EGLN1 (0.42) EGLN1RETJAK2KIF5BKDR
SCHEMBL17966637 0.85 EGLN1 (0.42) EGLN1RETJAK2KIF5BKDR
SCHEMBL17966627 0.85 EGLN1 (0.42) EGLN1RETJAK2KIF5BKDR
SCHEMBL30175375 0.85 EGLN1 (0.42) EGLN1RETJAK2KIF5BKDR
SCHEMBL22510981 0.85 EGLN1 (0.42) EGLN1RETJAK2KIF5BKDR
SCHEMBL18789230 0.85 EGLN1 (0.42) EGLN1RETJAK2KIF5BKDR

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-2020035065-A1 PYRAZOLE DERIVATIVE AS RET INHIBITOR 南京明德新药研发有限公司 2020-02-20 WO disclosed