SCHEMBL3825040

SCHEMBL3825040

CCc1c2cnc(Nc3cccnc3)nc2nc(=O)n1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.49
LCK P06239 4/20 0.49
ABL1 P00519 2/20 0.45
BCR P11274 2/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
CSF1R P07333 3/20 0.43
BRAF P15056 1/20 0.43
BLK P51451 1/20 0.43
DAPK1 P53355 1/20 0.43
KIT P10721 1/20 0.43
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL3825451 0.93 BTK (0.51) BTKLCKABL1BCRMAPT
SCHEMBL3830993 0.90 BTK (0.49) BTKLCKMAPTKDM4ECSF1R
SCHEMBL3830492 0.90 BTK (0.46) BTKLCKABL1BCRMAPT
SCHEMBL3825126 0.90 BTK (0.49) BTKLCKMAPTKDM4ECSF1R
SCHEMBL3825146 0.88 BTK (0.44) BTKLCKMAPTKDM4ECSF1R
SCHEMBL3829780 0.87 BTK (0.47) BTKLCKABL1BCRMAPT
SCHEMBL3824944 0.87 BTK (0.46) BTKLCKABL1BCRMAPT
SCHEMBL3824777 0.87 MAPT (0.48) BTKLCKABL1MAPTKDM4E
SCHEMBL3829466 0.87 CSF1R (0.61) LCKABL1CSF1RBRAFDAPK1
SCHEMBL3830881 0.87 BTK (0.49) BTKLCKMAPTKDM4ECSF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO disclosed