SCHEMBL20075099

SCHEMBL20075099

Nc1n[nH]c(-c2ccc(F)cc2)c1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.50
ABL1 P00519 4/20 0.43
RPS6KA3 P51812 2/20 0.43
KDR P35968 2/20 0.43
ALK Q9UM73 2/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
IGF1R P08069 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43

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
SCHEMBL20074615 0.81 MAPK14 (0.53) MAPK14ABL1RPS6KA3KDRALK
SCHEMBL20075097 0.81 SLC34A1 (0.47) MAPK14ABL1RPS6KA3KDRALK
SCHEMBL21711385 0.71 IKBKB (0.58) MAPK14ABL1RPS6KA3KDRALK
SCHEMBL20075417 0.71 MAPK1 (0.69) MAPK14ABL1RPS6KA3KDRALK
SCHEMBL2523390 0.69 MAPK14 (0.40) MAPK14MAPK1
SCHEMBL6132067 0.68 MAPK1 (0.80) MAPK14ABL1RPS6KA3KDRALK
SCHEMBL20074664 0.68 MAPK14 (0.53) MAPK14ABL1RPS6KA3KDRALK
SCHEMBL6132080 0.68 MAPK1 (0.80) MAPK14ABL1RPS6KA3KDRALK
SCHEMBL7617137 0.68 MAPK14 (0.59) MAPK14MAPK9MAPK13MAPK12MAPK11
SCHEMBL6076585 0.67 MAPK14 (1.00) MAPK14RPS6KA3MAPK1NPSR1ILK

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-3526212-B1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AG (DE) 2021-12-22 EP disclosed
WO-2018069222-A1 SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed