SCHEMBL5207324

SCHEMBL5207324

CC(C)c1ccc(Oc2cnc(N)nc2NC2CCC(O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
MERTK Q12866 5/20 0.38
TYRO3 Q06418 4/20 0.38
FLT3 P36888 3/20 0.38
GAS6 Q14393 3/20 0.38
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
BTK Q06187 2/20 0.37
AXL P30530 2/20 0.37
CHUK O15111 1/20 0.36
LCK P06239 2/20 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
DHFR P00374 1/20 0.36
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
SYK P43405 2/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL5207331 1.00 HSP90AA1 (0.40) HSP90AA1MERTKTYRO3FLT3GAS6
SCHEMBL1378749 0.90 TYRO3 (0.43) MERTKTYRO3FLT3GAS6AXL
SCHEMBL1378746 0.90 TYRO3 (0.43) MERTKTYRO3FLT3GAS6AXL
SCHEMBL1376243 0.88 BTK (0.40) MERTKTYRO3FLT3GAS6BTK
SCHEMBL1379026 0.88 MAPT (0.44) MERTKTYRO3FLT3GAS6BTK
SCHEMBL1379021 0.88 MAPT (0.44) MERTKTYRO3FLT3GAS6BTK
SCHEMBL5203150 0.88 BTK (0.40) MERTKTYRO3FLT3GAS6BTK
SCHEMBL1379676 0.88 BTK (0.41) MERTKTYRO3FLT3GAS6BTK
SCHEMBL1376242 0.88 BTK (0.40) MERTKTYRO3FLT3GAS6BTK
SCHEMBL1379674 0.88 BTK (0.41) MERTKTYRO3FLT3GAS6BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP 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 claimed
EP-1165523-B1 NEUROTROPHIC SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC (US) 2007-11-07 EP disclosed
US-6916820-B1 Neurotrophic substituted pyrimidines KRENITSKY PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
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