SCHEMBL20037644

SCHEMBL20037644

CC(C)c1ccc(O[C@H]2CCNC[C@@H]2F)nn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.40
CLK3 P49761 3/20 0.40
DYRK1A Q13627 3/20 0.40
PIM1 P11309 11/20 0.35
PIM2 Q9P1W9 11/20 0.35
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
SSTR4 P31391 1/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31

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
SCHEMBL18291289 0.82 CLK2 (0.44) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL20038189 0.80 CLK2 (0.40) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL20249298 0.79 CLK2 (0.40) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL20249297 0.79 CLK2 (0.40) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL18291287 0.78 CLK2 (0.37) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL18291298 0.78 CLK2 (0.37) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL18291595 0.78 CLK2 (0.37) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL18291279 0.74 SLC6A4 (0.37)
SCHEMBL13171526 0.70 CSF1R (0.41) CLK2CLK3DYRK1APIM1PIM2
SCHEMBL13729306 0.69 ACACB (0.36)

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed