SCHEMBL5686325

SCHEMBL5686325

CN1CCN(c2ccc(Nc3ncc(C(N)=O)cn3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
SYK P43405 4/20 0.52
CCNT1 O60563 1/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CDK9 P50750 1/20 0.50
CDK6 Q00534 1/20 0.50
CDK11A Q9UQ88 1/20 0.50
JAK3 P52333 3/20 0.47
WEE1 P30291 1/20 0.47
LCK P06239 1/20 0.47
MAPK14 Q16539 1/20 0.47
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
JAK2 O60674 1/20 0.46
CYP3A4 P08684 1/20 0.46
JAK1 P23458 1/20 0.46
MAP3K7 O43318 1/20 0.46

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
SCHEMBL5686243 0.85 MAPT (0.55) RAB9ASMN1; SMN2JAK2
SCHEMBL4492001 0.85 SYK (0.62) SYKCDK4CCND1CDK6LCK
SCHEMBL4460927 0.83 RAB9A (0.56) RAB9AL3MBTL1SMN1; SMN2KMT2AHRH3
Hydrochloric Acid SCHEMBL5009801 0.82 RAB9A (0.55) RAB9AL3MBTL1SMN1; SMN2KMT2AHRH3
SCHEMBL29883723 0.80 L3MBTL1 (0.52) RAB9AL3MBTL1SMN1; SMN2SYKCCNT1
SCHEMBL1431034 0.79 RAB9A (0.67) RAB9AL3MBTL1SMN1; SMN2CCNT1CDK4
SCHEMBL5686213 0.79 FLT3 (0.58) SYKJAK3LCKJAK2JAK1
SCHEMBL4506714 0.78 PKMYT1 (0.60) EGFR
SCHEMBL4494959 0.76 STAT6 (0.59) SYKJAK3
SCHEMBL4489867 0.75 BRD4 (0.61) SYKJAK2

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
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed