SCHEMBL5203804

SCHEMBL5203804

Nc1ncc(Oc2ccccc2Cl)c(N[C@H]2CC[C@H](O)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
BTK Q06187 3/20 0.43
MAPK3 P27361 2/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
MERTK Q12866 4/20 0.40
AXL P30530 3/20 0.40
TYRO3 Q06418 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
FLT3 P36888 1/20 0.40
GAS6 Q14393 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
BCL6 P41182 1/20 0.38
CHUK O15111 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL5203808 1.00 MAPK14 (0.47) MAPK14BTKMAPK3CDK7CDK9
SCHEMBL1379519 0.92 LCK (0.43) MAPK14BTKMAPK3CDK7CDK9
SCHEMBL1379520 0.92 LCK (0.43) MAPK14BTKMAPK3CDK7CDK9
SCHEMBL7161086 0.87 MAPK14 (0.43) MAPK14MERTKAXLTYRO3MAPK8
SCHEMBL7161091 0.87 MAPK14 (0.43) MAPK14MERTKAXLTYRO3MAPK8
SCHEMBL5203220 0.87 MERTK (0.39) MAPK14BTKMERTKAXLTYRO3
SCHEMBL5203216 0.87 MERTK (0.39) MAPK14BTKMERTKAXLTYRO3
SCHEMBL5207562 0.86 BTK (0.43) BTKMERTKAXLTYRO3MAPK8
SCHEMBL5207250 0.86 EGFR (0.45) CDK7CDK9MERTKAXLTYRO3
SCHEMBL5207566 0.86 BTK (0.43) BTKMERTKAXLTYRO3MAPK8

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