SCHEMBL7157245

SCHEMBL7157245

Nc1ncc(Oc2ccc(Br)cc2)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
MERTK Q12866 7/20 0.38
AXL P30530 3/20 0.38
CHUK O15111 1/20 0.38
TYRO3 Q06418 5/20 0.38
FLT3 P36888 4/20 0.38
GAS6 Q14393 4/20 0.38
SYK P43405 2/20 0.36
LCK P06239 2/20 0.36
ITK Q08881 1/20 0.36
AURKB Q96GD4 1/20 0.36
EGFR P00533 1/20 0.36
INSR P06213 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CSNK2A1 P68400 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
MAPK8 P45983 2/20 0.34

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
SCHEMBL7157240 1.00 BTK (0.39) BTKJAK1TYK2MERTKAXL
SCHEMBL5203150 0.88 BTK (0.40) BTKMERTKAXLCHUKTYRO3
SCHEMBL1376242 0.88 BTK (0.40) BTKMERTKAXLCHUKTYRO3
SCHEMBL1379674 0.88 BTK (0.41) BTKJAK1TYK2MERTKAXL
SCHEMBL1379676 0.88 BTK (0.41) BTKJAK1TYK2MERTKAXL
SCHEMBL1379021 0.88 MAPT (0.44) BTKMERTKAXLCHUKTYRO3
SCHEMBL1379026 0.88 MAPT (0.44) BTKMERTKAXLCHUKTYRO3
SCHEMBL1376243 0.88 BTK (0.40) BTKMERTKAXLCHUKTYRO3
SCHEMBL5204420 0.88 LCK (0.46) BTKMERTKAXLCHUKTYRO3
SCHEMBL5204412 0.88 LCK (0.46) BTKMERTKAXLCHUKTYRO3

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
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US claimed
US-6583148-B1 Neurodegenerative or other neurological disorders; enhancing the effect of nerve growth factor; 2-Amino-5-(4-chlorophenoxy)-4-trans-4-hydroxycyclohexylamino) pyrimidine KRENITSKY PHARMACEUTICALS, INC. 2003-06-24 US disclosed