SCHEMBL12469722

SCHEMBL12469722

CCN(CC)Cc1[nH]c(-c2ccc(-c3ccc(N)cc3F)c3c2C(=O)NC3)nc1C.Nc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.42
FLT3 P36888 1/20 0.38
CSF1R P07333 3/20 0.32
PDE7A Q13946 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
DPP4 P27487 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
SCHEMBL12469479 0.96 BTK (0.44) BTKFLT3CSF1RPIM1PIM2
SCHEMBL12469500 0.93 BTK (0.42) BTKFLT3CSF1RPDE7APIM1
SCHEMBL12469588 0.91 BTK (0.43) BTKFLT3CSF1RPDE7APIM1
SCHEMBL12469665 0.88 BTK (0.46) BTKFLT3CSF1RPDE7APIM1
SCHEMBL12469592 0.86 BTK (0.44) BTKFLT3CSF1RPDE7APIM1
SCHEMBL12469585 0.86 BTK (0.45) BTKFLT3CSF1RPDE7A
SCHEMBL12469475 0.84 BTK (0.46) BTKFLT3CSF1R
SCHEMBL12469852 0.83 BTK (0.42) BTKFLT3CSF1RDPP4
SCHEMBL12469269 0.82 BTK (0.46) BTKFLT3CSF1RPIM1PIM2
SCHEMBL12469587 0.82 BTK (0.43) BTKFLT3CSF1R

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-2012047017-A2 2,3-DIHYDRO-ISOINDOL-1-ONE DERIVATIVE AND A COMPOSITION COMPRISING THE SAME 크리스탈지노믹스(주) (KR) 2012-04-12 WO disclosed