SCHEMBL5209693

SCHEMBL5209693

Nc1ncc(Oc2ccc(Cl)cc2)c(N2CCC(O)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
ABL1 P00519 2/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
CHUK O15111 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
DHFR P00374 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK9 P50750 1/20 0.36
DCK P27707 1/20 0.36

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
SCHEMBL7716713 0.93 DHFR (0.39) CDK1CDK2TRPC6DHFRKCNH2
SCHEMBL5202842 0.86 PDE10A (0.40) ABL1
SCHEMBL5205947 0.84 HRH4 (0.38) TRPC6DHFRDCK
SCHEMBL7708430 0.82 CYP3A4 (0.43) TRPC6SCN9ACCNT1CCNCCDK8
SCHEMBL7708038 0.82 MAP4K4 (0.41) CDK8
SCHEMBL7714309 0.81 DHFR (0.39) CDK1CDK2DHFRDCK
SCHEMBL8123561 0.81 HTR2C (0.40) CNR2TRPC6DCK
SCHEMBL7708416 0.79 HRH4 (0.55) DHFR
SCHEMBL7714247 0.79 MEN1 (0.53) DHFRCCNCCDK8
SCHEMBL7714137 0.79 LTA4H (0.51) DHFRKCNH2SCN5ASCN9A

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